 Entering Gaussian System, Link 0=g16
 Input=36a_RhEn3-lel3_STD_M11-def2SVPDr.in
 Output=36a_RhEn3-lel3_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/36a_RhEn3-lel3_STD/Gau-104087.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/36a_RhEn3-lel3_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    104091.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36a_RhEn3-lel3_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 17:05:53 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36a_RhEn3-lel3_STD_M11-def2SVPDr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.478199000000     -2.838320000000      0.749399000000
  C                                                -0.645629000000     -2.804461000000     -0.750307000000
  N                                                -1.078681000000     -1.418399000000     -1.150041000000
  Rh                                                0.000089000000      0.000061000000      0.000067000000
  N                                                 0.452614000000     -1.723960000000      1.149911000000
  N                                                 1.266579000000      1.253203000000      1.150361000000
  C                                                 2.697130000000      1.004980000000      0.749740000000
  C                                                 2.751749000000      0.843414000000     -0.749999000000
  N                                                 1.767955000000     -0.224596000000     -1.150132000000
  N                                                -0.689162000000      1.644142000000     -1.149359000000
  C                                                -2.106386000000      1.961118000000     -0.750083000000
  C                                                -2.219517000000      1.832701000000      0.749582000000
  N                                                -1.719027000000      0.469782000000      1.150195000000
  H                                                 3.756021000000      0.579430000000     -1.083089000000
  H                                                 2.470270000000      1.765046000000     -1.260306000000
  H                                                 3.333144000000      1.825874000000      1.082628000000
  H                                                 3.035123000000      0.102500000000      1.259954000000
  H                                                -2.380317000000      2.962746000000     -1.083117000000
  H                                                -2.763117000000      1.256285000000     -1.260915000000
  H                                                -3.248557000000      1.972847000000      1.082181000000
  H                                                -1.607166000000      2.576710000000      1.260000000000
  H                                                -1.376439000000     -3.542110000000     -1.083457000000
  H                                                 0.293217000000     -3.021476000000     -1.260748000000
  H                                                -0.085550000000     -3.799768000000      1.082032000000
  H                                                -1.428624000000     -2.679610000000      1.259901000000
  H                                                 1.413300000000     -2.037405000000      1.012360000000
  H                                                 0.376507000000     -1.580276000000      2.156655000000
  H                                                -2.086004000000     -1.339860000000     -1.011556000000
  H                                                -0.954028000000     -1.314487000000     -2.156803000000
  H                                                -2.470374000000     -0.206011000000      1.012941000000
  H                                                -1.556269000000      0.464260000000      2.156877000000
  H                                                -0.118063000000      2.477516000000     -1.010037000000
  H                                                -0.660849000000      1.484860000000     -2.156217000000
  H                                                 1.057396000000      2.241932000000      1.013461000000
  H                                                 1.180208000000      1.114623000000      2.156980000000
  H                                                 2.203896000000     -1.136230000000     -1.012433000000
  H                                                 1.615436000000     -0.167935000000     -2.156845000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          14          12          12          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           2           0           0           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 17:05:53 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.478199   -2.838320    0.749399
      2          6           0       -0.645629   -2.804461   -0.750307
      3          7           0       -1.078681   -1.418399   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.452614   -1.723960    1.149911
      6          7           0        1.266579    1.253203    1.150361
      7          6           0        2.697130    1.004980    0.749740
      8          6           0        2.751749    0.843414   -0.749999
      9          7           0        1.767955   -0.224596   -1.150132
     10          7           0       -0.689162    1.644142   -1.149359
     11          6           0       -2.106386    1.961118   -0.750083
     12          6           0       -2.219517    1.832701    0.749582
     13          7           0       -1.719027    0.469782    1.150195
     14          1           0        3.756021    0.579430   -1.083089
     15          1           0        2.470270    1.765046   -1.260306
     16          1           0        3.333144    1.825874    1.082628
     17          1           0        3.035123    0.102500    1.259954
     18          1           0       -2.380317    2.962746   -1.083117
     19          1           0       -2.763117    1.256285   -1.260915
     20          1           0       -3.248557    1.972847    1.082181
     21          1           0       -1.607166    2.576710    1.260000
     22          1           0       -1.376439   -3.542110   -1.083457
     23          1           0        0.293217   -3.021476   -1.260748
     24          1           0       -0.085550   -3.799768    1.082032
     25          1           0       -1.428624   -2.679610    1.259901
     26          1           0        1.413300   -2.037405    1.012360
     27          1           0        0.376507   -1.580276    2.156655
     28          1           0       -2.086004   -1.339860   -1.011556
     29          1           0       -0.954028   -1.314487   -2.156803
     30          1           0       -2.470374   -0.206011    1.012941
     31          1           0       -1.556269    0.464260    2.156877
     32          1           0       -0.118063    2.477516   -1.010037
     33          1           0       -0.660849    1.484860   -2.156217
     34          1           0        1.057396    2.241932    1.013461
     35          1           0        1.180208    1.114623    2.156980
     36          1           0        2.203896   -1.136230   -1.012433
     37          1           0        1.615436   -0.167935   -2.156845
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509403   0.000000
     3  N    2.446350   1.506150   0.000000
     4  Rh   2.974334   2.974114   2.120972   0.000000
     5  N    1.506194   2.446313   2.779930   2.121124   0.000000
     6  N    4.466048   4.871726   4.234330   2.120740   3.086428
     7  C    4.985345   5.285454   4.872236   2.974206   3.555995
     8  C    5.122101   4.984894   4.466321   2.974135   3.935364
     9  N    3.935096   3.555412   3.086827   2.121032   3.044407
    10  N    4.872602   4.466677   3.087213   2.121143   4.234903
    11  C    5.285267   4.984431   3.554895   2.974173   4.872192
    12  C    4.985040   5.121529   3.934428   2.974390   4.466585
    13  N    3.555816   3.935068   3.044069   2.121036   3.086831
    14  H    5.741746   5.562013   5.231649   3.951698   4.604823
    15  H    5.824377   5.554216   4.768808   3.287173   4.696088
    16  H    6.032585   6.374189   5.913909   3.951555   4.572013
    17  H    4.610046   5.102892   5.004457   3.287741   3.165031
    18  H    6.374052   6.031632   4.570904   3.951851   5.914146
    19  H    5.101765   4.608051   3.162839   3.286865   5.003486
    20  H    5.561740   5.740725   4.603447   3.951779   5.231600
    21  H    5.554982   5.824336   4.695582   3.287829   4.769756
    22  H    2.159055   1.090504   2.145517   3.951687   3.411603
    23  H    2.160861   1.090448   2.112869   3.287136   2.742304
    24  H    1.090505   2.159118   3.411653   3.951795   2.145509
    25  H    1.090463   2.160927   2.742432   3.287710   2.112918
    26  H    2.070841   2.816835   3.356950   2.678277   1.019846
    27  H    2.072092   3.315693   3.616354   2.700005   1.019790
    28  H    2.816271   2.070746   1.019827   2.677789   3.356196
    29  H    3.315794   2.072043   1.019758   2.700086   3.616721
    30  H    3.311686   3.631898   2.843446   2.677978   3.296481
    31  H    3.748368   4.468279   3.835127   2.699919   3.136542
    32  H    5.611009   5.314609   4.015039   2.678069   4.758513
    33  H    5.212087   4.513877   3.100949   2.700190   4.739916
    34  H    5.313825   5.610459   4.758318   2.677844   4.014060
    35  H    4.511913   5.210107   4.738688   2.699482   3.098570
    36  H    3.632464   3.312325   3.297555   2.678260   2.843967
    37  H    4.467720   3.747270   3.136173   2.699970   3.835102
                    6          7          8          9         10
     6  N    0.000000
     7  C    1.506183   0.000000
     8  C    2.446431   1.509405   0.000000
     9  N    2.779845   2.446372   1.506188   0.000000
    10  N    3.044087   3.934727   3.555351   3.087006   0.000000
    11  C    3.935699   5.122249   4.985051   4.466308   1.506127
    12  C    3.556586   4.985834   5.285917   4.872506   2.446123
    13  N    3.086680   4.466458   4.872184   4.234703   2.779873
    14  H    3.411684   2.159075   1.090504   2.145544   4.571395
    15  H    2.742658   2.160891   1.090435   2.112832   3.163690
    16  H    2.145514   1.090502   2.159113   3.411665   4.603666
    17  H    2.112789   1.090425   2.160825   2.742484   4.695929
    18  H    4.605520   5.742184   5.562431   5.231807   2.145486
    19  H    4.696031   5.824104   5.553850   4.768217   2.112858
    20  H    4.572635   6.033115   6.374651   5.914167   3.411498
    21  H    3.165770   4.610603   5.103386   5.004747   2.741792
    22  H    5.913587   6.374214   6.032077   4.571385   5.232008
    23  H    5.003375   5.102275   4.608972   3.163799   4.769221
    24  H    5.231198   5.562313   5.741580   4.604334   5.914356
    25  H    4.768976   5.555026   5.824681   4.696112   5.004615
    26  H    3.296767   3.312596   3.632695   2.844016   4.758904
    27  H    3.135835   3.748099   4.468186   3.835210   4.739436
    28  H    4.757906   5.610598   5.314033   4.014476   3.297639
    29  H    4.739352   5.211418   4.513138   3.100071   3.136652
    30  H    4.014101   5.314026   5.610688   4.758431   3.357279
    31  H    3.099028   4.512628   5.210826   4.739335   3.615964
    32  H    2.843149   3.631871   3.312662   3.298196   1.019842
    33  H    3.834332   4.466642   3.746295   3.135847   1.019772
    34  H    1.019845   2.070828   2.817175   3.357051   2.843520
    35  H    1.019778   2.072052   3.315693   3.616067   3.834946
    36  H    3.356431   2.816614   2.070750   1.019844   4.014848
    37  H    3.616483   3.315724   2.072016   1.019776   3.099971
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509399   0.000000
    13  N    2.446464   1.506164   0.000000
    14  H    6.032228   6.374671   5.914028   0.000000
    15  H    4.609181   5.102777   5.003842   1.757910   0.000000
    16  H    5.741568   5.562644   5.231442   2.534320   2.497517
    17  H    5.824931   5.555656   4.769579   2.497400   3.071617
    18  H    1.090508   2.159084   3.411723   6.582920   4.999408
    19  H    1.090429   2.160985   2.742656   6.556593   5.258058
    20  H    2.159140   1.090498   2.145528   7.462849   6.183479
    21  H    2.160696   1.090436   2.112751   6.184090   4.861710
    22  H    5.561428   5.741028   4.604546   6.582495   6.557008
    23  H    5.553838   5.823941   4.695812   4.998910   5.258360
    24  H    6.374028   6.032333   4.571865   6.214724   6.556365
    25  H    5.102524   4.609435   3.164655   6.556789   6.427113
    26  H    5.610934   5.314521   4.014531   4.089875   4.554210
    27  H    5.211080   4.513049   3.099510   5.155714   5.220215
    28  H    3.311380   3.631057   2.842999   6.149638   5.519235
    29  H    3.746515   4.466915   3.834720   5.188867   4.691806
    30  H    2.817302   2.070902   1.019832   6.616514   5.784694
    31  H    3.315664   2.071958   1.019769   6.223429   5.438952
    32  H    2.070669   2.815698   3.355694   4.314695   2.696241
    33  H    2.072103   3.315736   3.616972   4.634668   3.268802
    34  H    3.632969   3.312893   3.296625   3.800265   2.719127
    35  H    4.468699   3.748938   3.136080   4.173642   3.710142
    36  H    5.314219   5.611224   4.758735   2.314643   2.924004
    37  H    4.512627   5.211212   4.739392   2.508707   2.295853
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757919   0.000000
    18  H    6.215027   6.557284   0.000000
    19  H    6.555991   6.426942   1.757884   0.000000
    20  H    6.583342   6.558539   2.534217   2.497841   0.000000
    21  H    5.000188   5.260472   2.497395   3.071605   1.757963
    22  H    7.462396   6.183578   6.581863   4.997896   6.213660
    23  H    6.182990   4.861195   6.556695   5.257415   6.555665
    24  H    6.582957   4.999795   7.462267   6.182430   6.582378
    25  H    6.557839   5.259769   6.183173   4.860726   4.998910
    26  H    4.314587   2.696443   6.616953   5.784344   6.149789
    27  H    4.636496   3.271704   6.223765   5.439035   5.188474
    28  H    6.616241   5.784989   4.313254   2.694556   4.087700
    29  H    6.223795   5.440166   4.634849   3.268683   5.153877
    30  H    6.149328   5.519664   3.800341   2.719270   2.314689
    31  H    5.187905   4.692145   4.173613   3.710133   2.508913
    32  H    4.088363   4.553695   2.314861   2.924150   3.798955
    33  H    5.153483   5.219325   2.508438   2.296376   4.173917
    34  H    2.314502   2.923924   4.090609   4.554186   4.314900
    35  H    2.509032   2.295595   5.156658   5.220334   4.637424
    36  H    3.799808   2.718296   6.149928   5.518794   6.616873
    37  H    4.173725   3.709874   5.188458   4.690716   6.223557
                   21         22         23         24         25
    21  H    0.000000
    22  H    6.556293   0.000000
    23  H    6.426921   1.757909   0.000000
    24  H    6.557931   2.534191   2.497563   0.000000
    25  H    5.259351   2.497590   3.071690   1.757908   0.000000
    26  H    5.520380   3.799899   2.718456   2.314590   2.924079
    27  H    4.692492   4.173720   3.709803   2.508875   2.295910
    28  H    4.552886   2.314856   2.924145   3.799483   2.717829
    29  H    5.219439   2.508547   2.296159   4.173839   3.709807
    30  H    2.923987   4.089148   4.553454   4.313612   2.695352
    31  H    2.295523   5.155881   5.220260   4.636835   3.271816
    32  H    2.716677   6.150187   5.520047   6.616805   5.784992
    33  H    3.709204   5.189731   4.692459   6.224510   5.440786
    34  H    2.696803   6.616325   5.784415   6.149241   5.519294
    35  H    3.272877   6.222703   5.438284   5.187378   4.691158
    36  H    5.785678   4.314175   2.695646   4.089350   4.554199
    37  H    5.439951   4.635573   3.270160   5.154987   5.220054
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.610378   0.000000
    28  H    4.102186   4.019866   0.000000
    29  H    4.021249   4.521823   1.610467   0.000000
    30  H    4.293824   3.361758   2.352008   3.684468   0.000000
    31  H    4.048035   2.813494   3.684350   4.704728   1.610416
    32  H    5.178771   5.170901   4.294782   4.048851   4.102088
    33  H    5.171878   5.391849   3.364574   2.814658   4.022063
    34  H    4.294112   4.047194   5.177923   5.171510   4.293901
    35  H    3.361513   2.812191   5.170324   5.391128   4.047178
    36  H    2.353071   3.685057   4.294730   3.363606   5.178441
    37  H    3.685056   4.704884   4.047932   2.813668   5.171348
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.018828   0.000000
    33  H    4.521745   1.610500   0.000000
    34  H    3.361363   2.351967   3.684071   0.000000
    35  H    2.812699   3.684153   4.704278   1.610448   0.000000
    36  H    5.171551   4.295423   4.047854   4.102522   4.019882
    37  H    5.391436   3.364312   2.813042   4.021158   4.521445
                   36         37
    36  H    0.000000
    37  H    1.610453   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 1.97D-12
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.477057   -2.838512    0.749399
      2          6           0       -0.644501   -2.804721   -0.750307
      3          7           0       -1.078110   -1.418833   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.453307   -1.723778    1.149911
      6          7           0        1.266075    1.253712    1.150361
      7          6           0        2.696725    1.006065    0.749740
      8          6           0        2.751409    0.844521   -0.749999
      9          7           0        1.768045   -0.223885   -1.150132
     10          7           0       -0.689823    1.643865   -1.149359
     11          6           0       -2.107175    1.960270   -0.750083
     12          6           0       -2.220254    1.831808    0.749582
     13          7           0       -1.719216    0.469090    1.150195
     14          1           0        3.755788    0.580941   -1.083089
     15          1           0        2.469560    1.766040   -1.260306
     16          1           0        3.332409    1.827215    1.082628
     17          1           0        3.035082    0.103721    1.259954
     18          1           0       -2.381509    2.961788   -1.083117
     19          1           0       -2.763622    1.255173   -1.260915
     20          1           0       -3.249350    1.971540    1.082181
     21          1           0       -1.608202    2.576063    1.260000
     22          1           0       -1.375014   -3.542663   -1.083457
     23          1           0        0.294432   -3.021358   -1.260748
     24          1           0       -0.084021   -3.799802    1.082032
     25          1           0       -1.427546   -2.680185    1.259901
     26          1           0        1.414120   -2.036836    1.012360
     27          1           0        0.377143   -1.580124    2.156655
     28          1           0       -2.085465   -1.340699   -1.011556
     29          1           0       -0.953499   -1.314871   -2.156803
     30          1           0       -2.470291   -0.207005    1.012941
     31          1           0       -1.556456    0.463634    2.156877
     32          1           0       -0.119060    2.477468   -1.010037
     33          1           0       -0.661446    1.484594   -2.156217
     34          1           0        1.056494    2.242357    1.013461
     35          1           0        1.179760    1.115098    2.156980
     36          1           0        2.204353   -1.135343   -1.012433
     37          1           0        1.615503   -0.167285   -2.156845
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.6901150           0.6900165           0.4769981
 Leave Link  202 at Fri Jul 23 17:05:53 2021, MaxMem= 10737418240 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7      8     11     12
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      6      9     10     13
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 3 1.00
     Exponent=  7.9177440000D+00 Coefficients=  1.4014042010D+00
     Exponent=  6.8412070000D+00 Coefficients= -1.7975072656D+00
     Exponent=  2.9598400000D+00 Coefficients= -1.6225754497D-01
 S 1 1.00
     Exponent=  1.3166643441D+00 Coefficients=  8.7495110714D-01
 S 1 1.00
     Exponent=  5.6907152172D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0059695193D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.7071460798D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  4.1360790000D+00 Coefficients= -5.5183328018D-01
     Exponent=  2.9462810000D+00 Coefficients=  6.1370533515D-01
     Exponent=  1.0792431924D+00 Coefficients=  6.4005434538D-01
     Exponent=  4.6611217769D-01 Coefficients=  2.5958050755D-01
 P 1 1.00
     Exponent=  1.7453169991D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.4600000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  6.8847131641D+00 Coefficients= -1.5962387985D-02
     Exponent=  2.3837304391D+00 Coefficients=  2.3047555829D-01
     Exponent=  1.0184384022D+00 Coefficients=  4.4075804028D-01
     Exponent=  3.9957494644D-01 Coefficients=  3.9567661996D-01
 D 1 1.00
     Exponent=  1.3951120264D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0949900000D+00 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      F and up 
                                                     2       12.3100000      -30.09345572    0.00000000
                                                     2        6.1600000       -5.21848192    0.00000000
                                      S - F
                                                     2       11.7200000      225.34775353    0.00000000
                                                     2        5.8200000       32.82318898    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      P - F
                                                     2       10.4200000      158.70941159    0.00000000
                                                     2        5.4500000       26.44410049    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      D - F
                                                     2        8.8200000       62.75862572    0.00000000
                                                     2        3.8700000       10.97871947    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          7
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   466 symmetry adapted basis functions of A   symmetry.
   466 basis functions,   692 primitive gaussians,   495 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.1851107110 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 17:05:54 2021, MaxMem= 10737418240 cpu:              14.1 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20713 LenP2D=   45963.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   466 RedAO= T EigKep=  9.21D-06  NBF=   466
 NBsUse=   466 1.00D-06 EigRej= -1.00D+00 NBFU=   466
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   495   495   495   495   495 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Fri Jul 23 17:05:55 2021, MaxMem= 10737418240 cpu:              11.8 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 17:05:56 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36a_RhEn3-lel3_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 17:05:56 2021, MaxMem= 10737418240 cpu:               9.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736915163 LenY= 10736669643
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.386177491788    
 DIIS: error= 7.71D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.386177491788     IErMin= 1 ErrMin= 7.71D-03
 ErrMax= 7.71D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-02 BMatP= 2.89D-02
 IDIUse=3 WtCom= 9.23D-01 WtEn= 7.71D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.450 Goal=   None    Shift=    0.000
 GapD=    0.450 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.05D-02 MaxDP=1.30D+00              OVMax= 2.47D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.39D-03    CP:  1.31D+00
 E= -680.414092568726     Delta-E=       -0.027915076938 Rises=F Damp=F
 DIIS: error= 1.20D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.414092568726     IErMin= 2 ErrMin= 1.20D-03
 ErrMax= 1.20D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-03 BMatP= 2.89D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.20D-02
 Coeff-Com: -0.378D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.374D-01 0.104D+01
 Gap=     0.443 Goal=   None    Shift=    0.000
 RMSDP=2.05D-03 MaxDP=2.64D-01 DE=-2.79D-02 OVMax= 1.16D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.97D-04    CP:  1.38D+00  1.15D+00
 E= -680.415355545560     Delta-E=       -0.001262976834 Rises=F Damp=F
 DIIS: error= 1.73D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.415355545560     IErMin= 2 ErrMin= 1.20D-03
 ErrMax= 1.73D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.47D-04 BMatP= 1.15D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.73D-02
 Coeff-Com: -0.517D-01 0.445D+00 0.607D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.508D-01 0.437D+00 0.613D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=4.34D-04 MaxDP=3.31D-02 DE=-1.26D-03 OVMax= 8.02D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.99D-04    CP:  1.38D+00  1.18D+00  7.20D-01
 E= -680.415861401589     Delta-E=       -0.000505856030 Rises=F Damp=F
 DIIS: error= 4.44D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.415861401589     IErMin= 4 ErrMin= 4.44D-04
 ErrMax= 4.44D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-04 BMatP= 6.47D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.44D-03
 Coeff-Com: -0.136D-01 0.332D-02 0.303D+00 0.708D+00
 Coeff-En:   0.000D+00 0.000D+00 0.291D-01 0.971D+00
 Coeff:     -0.136D-01 0.330D-02 0.302D+00 0.709D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=1.39D-04 MaxDP=1.16D-02 DE=-5.06D-04 OVMax= 2.32D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.68D-05    CP:  1.39D+00  1.18D+00  8.25D-01  8.32D-01
 E= -680.415976471653     Delta-E=       -0.000115070064 Rises=F Damp=F
 DIIS: error= 1.53D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.415976471653     IErMin= 5 ErrMin= 1.53D-04
 ErrMax= 1.53D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.62D-06 BMatP= 1.33D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.53D-03
 Coeff-Com:  0.254D-02-0.609D-01 0.277D-01 0.216D+00 0.815D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.253D-02-0.608D-01 0.277D-01 0.215D+00 0.815D+00
 Gap=     0.446 Goal=   None    Shift=    0.000
 RMSDP=4.01D-05 MaxDP=4.82D-03 DE=-1.15D-04 OVMax= 9.35D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.89D-05    CP:  1.39D+00  1.19D+00  8.30D-01  8.88D-01  1.13D+00
 E= -680.415985890237     Delta-E=       -0.000009418584 Rises=F Damp=F
 DIIS: error= 3.88D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.415985890237     IErMin= 6 ErrMin= 3.88D-05
 ErrMax= 3.88D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-06 BMatP= 6.62D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.200D-02-0.229D-01-0.178D-01 0.127D-02 0.322D+00 0.715D+00
 Coeff:      0.200D-02-0.229D-01-0.178D-01 0.127D-02 0.322D+00 0.715D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=1.25D-05 MaxDP=8.40D-04 DE=-9.42D-06 OVMax= 2.21D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.72D-06    CP:  1.39D+00  1.19D+00  8.40D-01  8.92D-01  1.14D+00
                    CP:  8.50D-01
 E= -680.415987252543     Delta-E=       -0.000001362306 Rises=F Damp=F
 DIIS: error= 7.91D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.415987252543     IErMin= 7 ErrMin= 7.91D-06
 ErrMax= 7.91D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.48D-08 BMatP= 1.32D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.188D-03 0.614D-02-0.171D-02-0.301D-01-0.770D-01 0.116D-01
 Coeff-Com:  0.109D+01
 Coeff:     -0.188D-03 0.614D-02-0.171D-02-0.301D-01-0.770D-01 0.116D-01
 Coeff:      0.109D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=3.57D-06 MaxDP=2.02D-04 DE=-1.36D-06 OVMax= 9.39D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.19D-06    CP:  1.39D+00  1.19D+00  8.40D-01  8.90D-01  1.18D+00
                    CP:  9.32D-01  1.13D+00
 E= -680.415987346963     Delta-E=       -0.000000094420 Rises=F Damp=F
 DIIS: error= 1.61D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.415987346963     IErMin= 8 ErrMin= 1.61D-06
 ErrMax= 1.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.51D-09 BMatP= 4.48D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.123D-03 0.225D-02 0.764D-03-0.726D-02-0.278D-01-0.261D-01
 Coeff-Com:  0.207D+00 0.851D+00
 Coeff:     -0.123D-03 0.225D-02 0.764D-03-0.726D-02-0.278D-01-0.261D-01
 Coeff:      0.207D+00 0.851D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=6.37D-07 MaxDP=4.28D-05 DE=-9.44D-08 OVMax= 1.14D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.61D-07    CP:  1.39D+00  1.19D+00  8.40D-01  8.89D-01  1.18D+00
                    CP:  9.31D-01  1.15D+00  1.12D+00
 E= -680.415987350128     Delta-E=       -0.000000003164 Rises=F Damp=F
 DIIS: error= 6.76D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.415987350128     IErMin= 9 ErrMin= 6.76D-07
 ErrMax= 6.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.62D-10 BMatP= 2.51D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.165D-04-0.571D-05 0.463D-03 0.762D-03 0.343D-03-0.862D-02
 Coeff-Com: -0.506D-01 0.229D+00 0.829D+00
 Coeff:     -0.165D-04-0.571D-05 0.463D-03 0.762D-03 0.343D-03-0.862D-02
 Coeff:     -0.506D-01 0.229D+00 0.829D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=2.27D-07 MaxDP=1.91D-05 DE=-3.16D-09 OVMax= 3.59D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.14D-08    CP:  1.39D+00  1.19D+00  8.40D-01  8.89D-01  1.18D+00
                    CP:  9.32D-01  1.16D+00  1.18D+00  9.21D-01
 E= -680.415987350416     Delta-E=       -0.000000000288 Rises=F Damp=F
 DIIS: error= 9.50D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -680.415987350416     IErMin=10 ErrMin= 9.50D-08
 ErrMax= 9.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.30D-12 BMatP= 2.62D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.416D-05-0.918D-04-0.170D-04 0.357D-03 0.126D-02 0.545D-03
 Coeff-Com: -0.963D-02-0.375D-01 0.737D-02 0.104D+01
 Coeff:      0.416D-05-0.918D-04-0.170D-04 0.357D-03 0.126D-02 0.545D-03
 Coeff:     -0.963D-02-0.375D-01 0.737D-02 0.104D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=4.41D-08 MaxDP=3.02D-06 DE=-2.88D-10 OVMax= 1.44D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.58D-08    CP:  1.39D+00  1.19D+00  8.40D-01  8.89D-01  1.18D+00
                    CP:  9.32D-01  1.16D+00  1.19D+00  9.59D-01  1.18D+00
 E= -680.415987350452     Delta-E=       -0.000000000036 Rises=F Damp=F
 DIIS: error= 3.95D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -680.415987350452     IErMin=11 ErrMin= 3.95D-08
 ErrMax= 3.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.88D-13 BMatP= 5.30D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.173D-06 0.122D-04-0.277D-04-0.689D-04-0.184D-03 0.394D-03
 Coeff-Com:  0.432D-02-0.106D-01-0.507D-01-0.468D-01 0.110D+01
 Coeff:      0.173D-06 0.122D-04-0.277D-04-0.689D-04-0.184D-03 0.394D-03
 Coeff:      0.432D-02-0.106D-01-0.507D-01-0.468D-01 0.110D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=1.50D-08 MaxDP=1.56D-06 DE=-3.64D-11 OVMax= 7.12D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.24D-09    CP:  1.39D+00  1.19D+00  8.40D-01  8.89D-01  1.18D+00
                    CP:  9.32D-01  1.15D+00  1.19D+00  9.67D-01  1.24D+00
                    CP:  1.10D+00
 E= -680.415987350472     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 1.85D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -680.415987350472     IErMin=12 ErrMin= 1.85D-08
 ErrMax= 1.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.88D-14 BMatP= 4.88D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.361D-06 0.422D-05 0.862D-05-0.139D-04-0.552D-04-0.117D-03
 Coeff-Com: -0.302D-03 0.501D-02 0.121D-01-0.699D-01-0.255D+00 0.131D+01
 Coeff:     -0.361D-06 0.422D-05 0.862D-05-0.139D-04-0.552D-04-0.117D-03
 Coeff:     -0.302D-03 0.501D-02 0.121D-01-0.699D-01-0.255D+00 0.131D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=6.91D-09 MaxDP=8.05D-07 DE=-1.93D-11 OVMax= 4.13D-07

 SCF Done:  E(RM11) =  -680.415987350     A.U. after   12 cycles
            NFock= 12  Conv=0.69D-08     -V/T= 2.1276
 KE= 6.034046329007D+02 PE=-3.899862051131D+03 EE= 1.417856320169D+03
 Leave Link  502 at Fri Jul 23 17:10:54 2021, MaxMem= 10737418240 cpu:            4743.2 elap:             297.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   466
 NBasis=   466 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    466 NOA=    58 NOB=    58 NVA=   408 NVB=   408

 **** Warning!!: The largest alpha MO coefficient is  0.58616676D+02

 Leave Link  801 at Fri Jul 23 17:10:55 2021, MaxMem= 10737418240 cpu:               3.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11209 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.94D-13 8.33D-09 XBig12= 1.00D+00 2.48D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.94D-13 8.33D-09 XBig12= 1.21D-01 5.92D-02.
     11 vectors produced by pass  2 Test12= 3.94D-13 8.33D-09 XBig12= 3.61D-02 6.70D-02.
     11 vectors produced by pass  3 Test12= 3.94D-13 8.33D-09 XBig12= 5.78D-03 2.45D-02.
     11 vectors produced by pass  4 Test12= 3.94D-13 8.33D-09 XBig12= 8.87D-04 6.95D-03.
     11 vectors produced by pass  5 Test12= 3.94D-13 8.33D-09 XBig12= 8.83D-05 2.35D-03.
     11 vectors produced by pass  6 Test12= 3.94D-13 8.33D-09 XBig12= 1.64D-05 1.17D-03.
     11 vectors produced by pass  7 Test12= 3.94D-13 8.33D-09 XBig12= 3.19D-06 4.07D-04.
     11 vectors produced by pass  8 Test12= 3.94D-13 8.33D-09 XBig12= 2.02D-07 9.47D-05.
     11 vectors produced by pass  9 Test12= 3.94D-13 8.33D-09 XBig12= 1.09D-08 1.92D-05.
     11 vectors produced by pass 10 Test12= 3.94D-13 8.33D-09 XBig12= 7.22D-10 5.83D-06.
      9 vectors produced by pass 11 Test12= 3.94D-13 8.33D-09 XBig12= 4.57D-11 1.37D-06.
      2 vectors produced by pass 12 Test12= 3.94D-13 8.33D-09 XBig12= 1.75D-12 2.10D-07.
      1 vectors produced by pass 13 Test12= 3.94D-13 8.33D-09 XBig12= 4.33D-14 2.31D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   133 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.150794D+03
      2 -0.445120D-01  0.150836D+03
      3  0.202720D-03 -0.117159D-01  0.124926D+03
 Isotropic polarizability for W=    0.085645      142.19 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.556000D+02  0.833191D+02  0.850694D-01
      2  -0.556767D+02 -0.833162D+02 -0.739809D-01
      3   0.767731D-01 -0.283100D-02 -0.110884D-01
      4   0.832826D+02 -0.556094D+02  0.106674D-01
      5  -0.499354D-01  0.426692D+01  0.124275D+00
      6  -0.420275D+01 -0.310376D-01 -0.107407D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.670821D+00  0.859993D-01  0.894263D-01
      2   0.666301D-01 -0.679069D+00  0.754501D-01
      3  -0.710891D-01 -0.114674D+00 -0.370382D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.425625D+01  0.429433D-01  0.104576D+00
      2   0.135005D+00  0.421341D+01  0.475024D-01
      3  -0.364396D-01 -0.673724D-01 -0.846966D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.112738D+01 -0.159139D-01  0.393280D-02
      2  -0.159139D-01 -0.113397D+01  0.732232D-02
      3   0.393280D-02  0.732232D-02 -0.279236D+01
 OR G Eigenvalues:    -2.7924    -1.1469    -1.1144  Iso=     1.6846
 Eigenvectors:
   (1)  -0.002404  -0.004438   0.999987
   (2)   0.631610   0.775271   0.004960
   (3)   0.775283  -0.631613  -0.000939
 w=    0.085645 a.u., Optical Rotation Beta=      1.6846 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      282.11 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  108811 ScalPx= 7.71D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.64D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.57D-14 2.78D-09 XBig12= 1.00D+00 3.78D-01.
     30 vectors produced by pass  1 Test12= 6.57D-14 2.78D-09 XBig12= 4.20D-01 3.06D-01.
     30 vectors produced by pass  2 Test12= 6.57D-14 2.78D-09 XBig12= 1.48D-02 2.32D-02.
     30 vectors produced by pass  3 Test12= 6.57D-14 2.78D-09 XBig12= 3.77D-04 4.28D-03.
     30 vectors produced by pass  4 Test12= 6.57D-14 2.78D-09 XBig12= 9.43D-06 5.45D-04.
     30 vectors produced by pass  5 Test12= 6.57D-14 2.78D-09 XBig12= 2.63D-07 7.77D-05.
     30 vectors produced by pass  6 Test12= 6.57D-14 2.78D-09 XBig12= 4.12D-09 1.09D-05.
     30 vectors produced by pass  7 Test12= 6.57D-14 2.78D-09 XBig12= 4.41D-11 9.01D-07.
     30 vectors produced by pass  8 Test12= 6.57D-14 2.78D-09 XBig12= 4.46D-13 7.54D-08.
      9 vectors produced by pass  9 Test12= 6.57D-14 2.78D-09 XBig12= 5.53D-15 9.05D-09.
      1 vectors produced by pass 10 Test12= 6.57D-14 2.78D-09 XBig12= 1.65D-15 3.35D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   280 with    30 vectors.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 6.32D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 6.32D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.63D+02
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150794D+03 -0.445120D-01  0.202720D-03
      2  -0.445120D-01  0.150836D+03 -0.117159D-01
      3   0.202720D-03 -0.117159D-01  0.124926D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.670821D+00  0.859993D-01  0.894263D-01
      2   0.666301D-01 -0.679069D+00  0.754501D-01
      3  -0.710891D-01 -0.114674D+00 -0.370382D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.556000D+02  0.833191D+02  0.850694D-01
      2  -0.556767D+02 -0.833162D+02 -0.739809D-01
      3   0.767731D-01 -0.283100D-02 -0.110884D-01
      4   0.832826D+02 -0.556094D+02  0.106674D-01
      5  -0.499354D-01  0.426692D+01  0.124275D+00
      6  -0.420275D+01 -0.310376D-01 -0.107407D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.298228D+01 -0.879482D+00 -0.262131D+01 -0.102431D+01 -0.280084D+01
      2  -0.879482D+00 -0.460688D+01  0.118449D+01 -0.280084D+01  0.584346D+01
      3  -0.262131D+01  0.118449D+01  0.869877D+00  0.430436D+00 -0.328219D+01
                 6             7             8             9            10 
      1   0.430436D+00 -0.197190D+01  0.636982D+00  0.961534D+00 -0.154745D+01
      2  -0.328219D+01  0.636982D+00 -0.292279D+01  0.953615D+00  0.361117D+01
      3   0.722287D+00  0.961534D+00  0.953615D+00  0.693535D+00  0.329642D+01
                11            12            13            14            15 
      1   0.361117D+01  0.329642D+01  0.279216D+01  0.327865D+01  0.404175D+00
      2   0.484949D+01  0.111331D+01  0.327865D+01  0.945695D+00  0.262588D+01
      3   0.111331D+01 -0.549601D+00  0.404175D+00  0.262588D+01  0.999405D+00
                16            17            18            19            20 
      1   0.256983D+01  0.771503D+00 -0.551770D+00  0.326930D+00 -0.239207D+01
      2   0.771503D+00  0.238001D+01  0.118531D+01 -0.239207D+01 -0.302226D+01
      3  -0.551770D+00  0.118531D+01 -0.736944D+00 -0.206343D+01 -0.102271D+01
                21            22            23            24            25 
      1  -0.206343D+01 -0.394673D+01 -0.536809D+01 -0.219345D+01 -0.266776D+01
      2  -0.102271D+01 -0.536809D+01 -0.583547D+01 -0.457717D+01 -0.154243D+01
      3  -0.133229D+01 -0.219345D+01 -0.457717D+01 -0.232965D+01 -0.159874D+01
                26            27            28            29            30 
      1  -0.154243D+01 -0.159874D+01 -0.108683D+01 -0.156214D+01 -0.612195D-02
      2  -0.307862D+01 -0.188381D+01 -0.156214D+01  0.100468D+01 -0.189680D+01
      3  -0.188381D+01  0.126808D+01 -0.612195D-02 -0.189680D+01 -0.374857D-02
                31            32            33            34            35 
      1  -0.157571D+01  0.101085D+01  0.187945D+01  0.515214D-03 -0.957012D-02
      2   0.101085D+01  0.155738D+01 -0.210397D-01 -0.957012D-02 -0.121908D-01
      3   0.187945D+01 -0.210397D-01  0.379061D-02 -0.113957D-01 -0.861329D-02
                36            37            38            39            40 
      1  -0.113957D-01 -0.153624D+01  0.729517D+00  0.128269D+01  0.236283D+00
      2  -0.861329D-02  0.729517D+00  0.285855D+00  0.373259D+00  0.309647D+01
      3  -0.846097D-02  0.128269D+01  0.373259D+00  0.338622D+00 -0.838248D+00
                41            42            43            44            45 
      1   0.309647D+01 -0.838248D+00  0.160522D+01 -0.925051D+00  0.757577D+00
      2  -0.102199D+02  0.535855D+01 -0.925051D+00  0.409025D+01 -0.231256D+01
      3   0.535855D+01 -0.264257D+01  0.757577D+00 -0.231256D+01 -0.126806D+01
                46            47            48            49            50 
      1   0.405917D+01  0.507228D+01  0.414593D+01  0.290952D+01  0.340819D+01
      2   0.507228D+01  0.530266D+01  0.247876D+01  0.340819D+01  0.104218D+01
      3   0.414593D+01  0.247876D+01  0.214491D+01  0.128598D+01  0.251259D+01
                51            52            53            54            55 
      1   0.128598D+01  0.270071D+01  0.155049D+01  0.164795D+01  0.262604D+00
      2   0.251259D+01  0.155049D+01  0.307447D+01  0.184044D+01 -0.237627D+01
      3   0.161423D+01  0.164795D+01  0.184044D+01 -0.124674D+01 -0.242601D+01
                56            57            58            59            60 
      1  -0.237627D+01 -0.242601D+01 -0.375606D+01 -0.468145D+01 -0.100527D+01
      2  -0.367487D+01 -0.290777D+00 -0.468145D+01  0.266069D-01 -0.352159D+01
      3  -0.290777D+00 -0.105356D+01 -0.100527D+01 -0.352159D+01  0.436502D+00
                61            62            63            64            65 
      1  -0.210446D+01 -0.714657D+00 -0.124916D+01 -0.699064D+01  0.157553D+01
      2  -0.714657D+00 -0.276445D+01  0.373734D+00  0.157553D+01  0.198291D+01
      3  -0.124916D+01  0.373734D+00  0.729300D+00  0.346730D+01 -0.322096D+00
                66            67            68            69            70 
      1   0.346730D+01  0.346913D+01  0.207787D+01 -0.112339D+01  0.308321D+01
      2  -0.322096D+00  0.207787D+01 -0.243098D+01  0.246887D+01 -0.505120D+00
      3  -0.604381D+00 -0.112339D+01  0.246887D+01 -0.963557D+00 -0.825422D+00
                71            72            73            74            75 
      1  -0.505120D+00 -0.825422D+00  0.107932D+02 -0.147305D+01 -0.536160D+01
      2   0.183682D+01 -0.107033D+01 -0.147305D+01 -0.101974D+01  0.296248D+00
      3  -0.107033D+01 -0.691887D+00 -0.536160D+01  0.296248D+00  0.267037D+01
                76            77            78            79            80 
      1   0.130554D+01 -0.113102D+01 -0.882246D+00 -0.433364D+01  0.566334D+00
      2  -0.113102D+01  0.117918D+01 -0.130555D+01  0.566334D+00 -0.141095D+01
      3  -0.882246D+00 -0.130555D+01  0.714194D-02  0.241480D+01 -0.441252D+00
                81            82            83            84            85 
      1   0.241480D+01 -0.511948D+00  0.171845D+01 -0.254596D+01  0.475468D+00
      2  -0.441252D+00  0.171845D+01 -0.655791D+01  0.248264D+01 -0.401692D+01
      3   0.124357D+01 -0.254596D+01  0.248264D+01 -0.136170D+01  0.129564D+01
                86            87            88            89            90 
      1  -0.401692D+01  0.129564D+01 -0.163179D+01  0.983717D+00 -0.834092D+00
      2   0.671821D+01 -0.406706D+01  0.983717D+00 -0.412709D+01  0.231924D+01
      3  -0.406706D+01  0.228009D+01 -0.834092D+00  0.231924D+01  0.123596D+01
                91            92            93            94            95 
      1  -0.121009D+01  0.152700D+01  0.214105D+01  0.504007D+00  0.441828D+01
      2   0.152700D+01  0.292473D+01  0.212908D+00  0.441828D+01 -0.529696D+01
      3   0.214105D+01  0.212908D+00  0.115062D+01 -0.493313D+00  0.382185D+01
                96            97            98            99           100 
      1  -0.493313D+00  0.174285D+01 -0.352910D+00  0.131573D+01  0.662409D+01
      2   0.382185D+01 -0.352910D+00  0.319466D+01 -0.160280D+00 -0.318461D+01
      3  -0.459939D-01  0.131573D+01 -0.160280D+00 -0.660147D+00 -0.381886D+01
               101           102           103           104           105 
      1  -0.318461D+01 -0.381886D+01 -0.152024D+01 -0.247309D+01 -0.473051D+00
      2  -0.169170D+01  0.267655D+00 -0.247309D+01  0.614597D+00 -0.214584D+01
      3   0.267655D+00  0.191014D+00 -0.473051D+00 -0.214584D+01 -0.113366D+01
               106           107           108           109           110 
      1  -0.322909D+01  0.144836D+00  0.352547D+00 -0.859744D+01  0.317721D+01
      2   0.144836D+00 -0.168898D+01 -0.128326D+01  0.317721D+01  0.454063D+00
      3   0.352547D+00 -0.128326D+01  0.658119D+00  0.457776D+01 -0.105697D+01
               111           112           113           114           115 
      1   0.457776D+01  0.579584D+01 -0.460471D+00 -0.219894D+01  0.427404D+01
      2  -0.105697D+01 -0.460471D+00  0.239393D+00  0.207425D+01 -0.610542D+00
      3  -0.246910D+01 -0.219894D+01  0.207425D+01  0.102602D+01 -0.240342D+01
               116           117           118           119           120 
      1  -0.610542D+00 -0.240342D+01  0.108200D+02  0.641582D-01 -0.286689D+01
      2   0.141107D+01  0.507882D+00  0.641582D-01  0.996350D+00  0.499061D-01
      3   0.507882D+00 -0.123085D+01 -0.286689D+01  0.499061D-01  0.200162D+01
               121           122           123           124           125 
      1  -0.217102D+01  0.118830D+01  0.871943D+00 -0.293958D+01  0.589476D-01
      2   0.118830D+01  0.133484D+00 -0.791623D+00  0.589476D-01 -0.507754D+00
      3   0.871943D+00 -0.791623D+00 -0.268589D+00  0.249598D+01  0.165014D+00
               126           127           128           129           130 
      1   0.249598D+01 -0.719098D-01  0.697167D+00 -0.872952D+00  0.100881D+01
      2   0.165014D+00  0.697167D+00 -0.674519D+00  0.221438D+00  0.461779D+00
      3  -0.149844D+01 -0.872952D+00  0.221438D+00 -0.342116D+00 -0.127610D+00
               131           132           133           134           135 
      1   0.461779D+00 -0.127610D+00 -0.124430D+01 -0.372358D+00  0.380727D+00
      2   0.475898D+01 -0.218467D+01 -0.372358D+00 -0.179345D+01  0.176149D+01
      3  -0.218467D+01  0.226505D+01  0.380727D+00  0.176149D+01 -0.219478D+01
               136           137           138           139           140 
      1   0.573464D+01  0.294381D+01  0.169217D+01  0.445337D+01  0.396856D+01
      2   0.294381D+01  0.250217D+01  0.739127D+00  0.396856D+01  0.426994D+01
      3   0.169217D+01  0.739127D+00  0.143331D+01  0.150556D+01  0.199594D+01
               141           142           143           144           145 
      1   0.150556D+01  0.198480D+01  0.118184D+01  0.206528D+01  0.205605D+01
      2   0.199594D+01  0.118184D+01  0.144093D+01  0.137361D+01 -0.108594D+01
      3   0.141755D+01  0.206528D+01  0.137361D+01  0.146023D+01  0.131807D+01
               146           147           148           149           150 
      1  -0.108594D+01  0.131807D+01 -0.203717D+01  0.162647D+01 -0.828263D+00
      2   0.928690D+00 -0.447588D+00  0.162647D+01 -0.298039D+01  0.174222D+01
      3  -0.447588D+00  0.109396D+01 -0.828263D+00  0.174222D+01 -0.201954D+01
               151           152           153           154           155 
      1   0.179688D+01 -0.346209D+00  0.136784D+01 -0.229840D+01  0.183709D+01
      2  -0.346209D+00  0.124939D+01 -0.116123D+01  0.183709D+01 -0.196874D+01
      3   0.136784D+01 -0.116123D+01  0.220353D+01 -0.937016D+00  0.340008D+00
               156           157           158           159           160 
      1  -0.937016D+00  0.272856D+01 -0.388832D+01  0.107883D+01 -0.110267D+01
      2   0.340008D+00 -0.388832D+01  0.845824D+01 -0.272869D+01  0.108405D+01
      3  -0.813668D+00  0.107883D+01 -0.272869D+01  0.185899D+01 -0.140220D+01
               161           162           163           164           165 
      1   0.108405D+01 -0.140220D+01 -0.376368D+01 -0.882917D+00 -0.185179D+01
      2  -0.237321D+01  0.208752D+01 -0.882917D+00 -0.921823D+00 -0.371768D+00
      3   0.208752D+01 -0.148954D+01 -0.185179D+01 -0.371768D+00 -0.175870D+01
               166           167           168           169           170 
      1  -0.198704D+01 -0.124427D+01 -0.743846D+00 -0.198070D+01 -0.327922D-01
      2  -0.124427D+01 -0.145169D+01 -0.124461D+01 -0.327922D-01 -0.107879D+01
      3  -0.743846D+00 -0.124461D+01 -0.140991D+01 -0.170004D+01 -0.560825D+00
               171           172           173           174           175 
      1  -0.170004D+01 -0.965637D+01  0.322774D+01  0.287845D+01  0.112127D+01
      2  -0.560825D+00  0.322774D+01 -0.203520D+01 -0.823253D+00 -0.141329D+01
      3  -0.223222D+01  0.287845D+01 -0.823253D+00 -0.193764D+01 -0.561718D-01
               176           177           178           179           180 
      1  -0.141329D+01 -0.561718D-01  0.263869D+01 -0.881543D+00 -0.226594D+01
      2   0.152791D+01  0.800154D+00 -0.881543D+00  0.854521D+00  0.111318D+01
      3   0.800154D+00  0.543563D+00 -0.226594D+01  0.111318D+01  0.150611D+01
               181           182           183           184           185 
      1   0.111494D+01  0.101603D+01  0.111613D+01  0.865523D+00  0.646882D+00
      2   0.101603D+01  0.179629D+01  0.647158D+00  0.646882D+00  0.416251D+01
      3   0.111613D+01  0.647158D+00  0.115837D+01  0.284890D+00  0.197845D+01
               186           187           188           189           190 
      1   0.284890D+00  0.107486D+01 -0.865129D-01  0.317562D+00 -0.296945D+01
      2   0.197845D+01 -0.865129D-01  0.197758D+01  0.176826D+01 -0.345372D+01
      3   0.194484D+01  0.317562D+00  0.176826D+01  0.222311D+01 -0.169142D+01
               191           192           193           194           195 
      1  -0.345372D+01 -0.169142D+01 -0.218822D+01 -0.286196D+01 -0.729065D+00
      2  -0.462599D+01 -0.149373D+01 -0.286196D+01 -0.703287D+01 -0.199247D+01
      3  -0.149373D+01 -0.121465D+01 -0.729065D+00 -0.199247D+01 -0.162325D+01
               196           197           198           199           200 
      1  -0.113708D+01 -0.106775D+01 -0.107548D+01  0.348989D+01 -0.159431D+01
      2  -0.106775D+01 -0.233988D+01 -0.222660D+01 -0.159431D+01  0.184207D+01
      3  -0.107548D+01 -0.222660D+01 -0.145792D+01 -0.187927D+01  0.744753D+00
               201           202           203           204           205 
      1  -0.187927D+01 -0.776533D+00  0.965229D+00  0.359958D+00 -0.135263D+01
      2   0.744753D+00  0.965229D+00 -0.150845D+01 -0.118397D+01  0.414107D+00
      3   0.213399D+01  0.359958D+00 -0.118397D+01 -0.814973D+00  0.133943D+01
               206           207           208           209           210 
      1   0.414107D+00  0.133943D+01  0.371677D+00 -0.159689D+01  0.934599D+00
      2  -0.172776D+01 -0.120013D+01 -0.159689D+01  0.312148D+01 -0.110033D+01
      3  -0.120013D+01 -0.220713D+01  0.934599D+00 -0.110033D+01  0.509670D+00
               211           212           213           214           215 
      1  -0.110255D+01  0.100701D+01 -0.311083D+00  0.548783D+00 -0.362510D+00
      2   0.100701D+01 -0.103786D+02  0.272970D+01 -0.362510D+00  0.288771D+01
      3  -0.311083D+00  0.272970D+01 -0.195254D+01  0.149963D+00 -0.249754D+01
               216           217           218           219           220 
      1   0.149963D+00 -0.460070D+01 -0.849926D+00  0.213719D+01  0.225514D+00
      2  -0.249754D+01 -0.849926D+00 -0.116713D+01  0.316902D+00 -0.707352D+00
      3   0.148953D+01  0.213719D+01  0.316902D+00 -0.227111D+01 -0.462283D-01
               221           222           223           224           225 
      1  -0.707352D+00 -0.462283D-01  0.167590D+01  0.422115D+00 -0.169257D+01
      2  -0.330978D+00  0.906446D+00  0.422115D+00  0.138242D+01 -0.621603D+00
      3   0.906446D+00  0.395665D-01 -0.169257D+01 -0.621603D+00  0.220812D+01
               226           227           228           229           230 
      1   0.495390D+01 -0.158610D+01  0.738201D+00 -0.192421D+01  0.867206D+00
      2  -0.158610D+01  0.292290D+01 -0.110034D+01  0.867206D+00 -0.279127D+00
      3   0.738201D+00 -0.110034D+01  0.122494D+01 -0.127589D+00 -0.682761D+00
               231           232           233           234           235 
      1  -0.127589D+00  0.121563D+00  0.857034D-01  0.585209D+00  0.627498D+00
      2  -0.682761D+00  0.857034D-01 -0.194642D+01  0.521928D+00 -0.365513D+00
      3  -0.317753D-01  0.585209D+00  0.521928D+00  0.212003D+00  0.674678D+00
               236           237           238           239           240 
      1  -0.365513D+00  0.674678D+00 -0.486562D+00 -0.494487D+00  0.243346D+00
      2  -0.101729D+01  0.323507D+00 -0.494487D+00  0.157987D+01 -0.294789D+00
      3   0.323507D+00 -0.181236D+00  0.243346D+00 -0.294789D+00  0.698207D+00
               241           242           243           244           245 
      1   0.917952D+00 -0.466724D-01  0.882791D+00 -0.623138D+01 -0.392381D+00
      2  -0.466724D-01  0.177391D+01 -0.105418D+01 -0.392381D+00 -0.187923D+01
      3   0.882791D+00 -0.105418D+01  0.689396D+01 -0.963588D+00 -0.412824D+00
               246           247           248           249           250 
      1  -0.963588D+00  0.139202D+00  0.128276D+00  0.547440D+00  0.278839D+00
      2  -0.412824D+00  0.128276D+00  0.890067D+00  0.908958D+00  0.787958D+00
      3  -0.114196D+01  0.547440D+00  0.908958D+00  0.445749D+00 -0.315732D+00
               251           252           253           254           255 
      1   0.787958D+00 -0.315732D+00 -0.540798D+00  0.717671D+00 -0.323868D+00
      2   0.162062D+01  0.725648D+00  0.717671D+00  0.132685D+01  0.581536D+00
      3   0.725648D+00 -0.194447D+00 -0.323868D+00  0.581536D+00  0.429877D+00
               256           257           258           259           260 
      1   0.398263D+00  0.872993D+00  0.498677D+00 -0.107283D+01 -0.339348D+00
      2   0.872993D+00  0.456906D+00 -0.531826D-01 -0.339348D+00 -0.161945D+01
      3   0.498677D+00 -0.531826D-01  0.579941D+00 -0.123141D+01 -0.630586D+00
               261           262           263           264           265 
      1  -0.123141D+01 -0.362838D+01 -0.182812D+01  0.201871D+00 -0.342711D+01
      2  -0.630586D+00 -0.182812D+01 -0.218593D+01  0.435753D+00 -0.915111D+00
      3  -0.690773D+01  0.201871D+00  0.435753D+00 -0.639373D+00  0.138276D+01
               266           267           268           269           270 
      1  -0.915111D+00  0.138276D+01 -0.149037D+01  0.850744D+00  0.155330D+00
      2  -0.224105D+01 -0.142146D+00  0.850744D+00 -0.325837D+00 -0.761449D+00
      3  -0.142146D+00 -0.102923D+01  0.155330D+00 -0.761449D+00  0.210605D+00
               271           272           273           274           275 
      1   0.145227D+01 -0.101908D+01 -0.299797D+00 -0.489599D+00 -0.452057D+00
      2  -0.101908D+01 -0.282344D+00  0.314580D+00 -0.452057D+00  0.282430D+00
      3  -0.299797D+00  0.314580D+00  0.688939D+00  0.224129D+00  0.691172D+00
               276           277           278           279           280 
      1   0.224129D+00  0.159314D+01 -0.345565D+00 -0.134246D+01  0.187816D+01
      2   0.691172D+00 -0.345565D+00  0.109073D+01 -0.247428D+00  0.488308D+00
      3  -0.192542D+00 -0.134246D+01 -0.247428D+00  0.686532D+01  0.377969D+00
               281           282           283           284           285 
      1   0.488308D+00  0.377969D+00  0.200407D+01  0.163524D+01 -0.344955D+00
      2   0.311144D+01 -0.133472D+01  0.163524D+01  0.456043D+01 -0.443766D+00
      3  -0.133472D+01  0.962042D+00 -0.344955D+00 -0.443766D+00  0.776901D+00
               286           287           288           289           290 
      1   0.557406D+00 -0.993110D+00  0.789907D+00 -0.391577D+00  0.178321D+00
      2  -0.993110D+00  0.130533D+01 -0.779421D-01  0.178321D+00  0.736395D+00
      3   0.789907D+00 -0.779421D-01 -0.209020D+00 -0.601958D+00 -0.340259D+00
               291           292           293           294           295 
      1  -0.601958D+00 -0.580355D-01  0.124163D+01 -0.433115D+00 -0.119654D+01
      2  -0.340259D+00  0.124163D+01 -0.105858D+01  0.211362D+00  0.403684D+00
      3   0.291729D+00 -0.433115D+00  0.211362D+00 -0.655497D+00  0.738008D-01
               296           297           298           299           300 
      1   0.403684D+00  0.738008D-01 -0.109212D+01 -0.209126D+00 -0.882681D+00
      2  -0.150193D+01  0.136883D+01 -0.209126D+00 -0.100187D+01 -0.792141D+00
      3   0.136883D+01 -0.686783D+01 -0.882681D+00 -0.792141D+00 -0.586627D+00
               301           302           303           304           305 
      1   0.175074D+01 -0.191370D+00  0.188524D+00 -0.138977D+01 -0.927795D+00
      2  -0.191370D+00  0.619830D+01  0.930230D+00 -0.927795D+00 -0.488301D+00
      3   0.188524D+00  0.930230D+00  0.107894D+01 -0.742103D+00  0.228472D+00
               306           307           308           309           310 
      1  -0.742103D+00 -0.758700D-01 -0.714828D+00  0.211631D+00 -0.112908D+01
      2   0.228472D+00 -0.714828D+00 -0.660425D+00 -0.505993D+00 -0.103529D+01
      3   0.199875D+00  0.211631D+00 -0.505993D+00 -0.521402D+00 -0.598185D+00
               311           312           313           314           315 
      1  -0.103529D+01 -0.598185D+00  0.153160D+01  0.392542D+00  0.459620D+00
      2   0.237823D+00  0.185518D+00  0.392542D+00  0.116837D+01  0.129299D+01
      3   0.185518D+00 -0.505461D+00  0.459620D+00  0.129299D+01  0.689979D+01
               316           317           318           319           320 
      1   0.102949D+01 -0.127002D+01  0.471714D+00 -0.324988D+01  0.164666D+01
      2  -0.127002D+01  0.226217D+01  0.295009D+00  0.164666D+01 -0.421739D+01
      3   0.471714D+00  0.295009D+00  0.201223D+00  0.126046D+01 -0.543656D+00
               321           322           323           324           325 
      1   0.126046D+01  0.192690D+01  0.189483D+00 -0.434048D+00 -0.177556D+01
      2  -0.543656D+00  0.189483D+00 -0.111388D+00 -0.649850D+00  0.135020D+00
      3  -0.121122D+01 -0.434048D+00 -0.649850D+00 -0.217208D+00  0.350696D+00
               326           327           328           329           330 
      1   0.135020D+00  0.350696D+00  0.666798D+00  0.588841D+00 -0.188167D+00
      2   0.642669D+00 -0.106668D+00  0.588841D+00 -0.421170D+00 -0.735374D+00
      3  -0.106668D+00 -0.712231D+00 -0.188167D+00 -0.735374D+00  0.911999D-01
               331           332           333 
      1  -0.177857D+01 -0.625784D-01  0.116241D+01
      2  -0.625784D-01 -0.919548D+00 -0.737687D+00
      3   0.116241D+01 -0.737687D+00 -0.688138D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103760D+02 -0.664178D+01  0.572922D+01 -0.535996D+01 -0.227011D+01
      2   0.857829D-01  0.269366D+01  0.290868D+01  0.161389D+01  0.224578D+01
      3  -0.964202D+01  0.283599D+01  0.843189D+01  0.605459D+01  0.882729D+01
                 6             7             8             9            10 
      1  -0.807039D+01  0.120120D+01 -0.260088D+01  0.198750D+01  0.410636D+01
      2   0.696129D+00 -0.514019D-01 -0.187547D-01 -0.127338D+01 -0.295813D+01
      3   0.114498D+01  0.931920D+01  0.249568D+01 -0.437484D+01  0.101333D+02
                11            12            13            14            15 
      1  -0.793162D+01 -0.684957D+01 -0.622879D+01  0.879363D+01 -0.567057D+01
      2   0.181961D+01  0.547481D+01  0.232171D+01  0.187773D+00  0.330681D+00
      3  -0.501202D+01 -0.739145D+01 -0.190451D+01 -0.930531D+01  0.453023D+01
                16            17            18            19            20 
      1  -0.214640D+01 -0.237520D+01 -0.245687D+01 -0.590086D+00 -0.226587D+01
      2   0.844146D+00  0.823654D+00 -0.388243D+00  0.223225D+02  0.165590D+02
      3  -0.762948D+01  0.627233D+01  0.452676D+01 -0.232566D+02 -0.195568D+02
                21            22            23            24            25 
      1   0.289349D+01 -0.647937D+01 -0.215118D+02 -0.202572D+01  0.132806D+02
      2   0.101825D+02  0.513197D+01 -0.234339D+01 -0.527913D+01 -0.124378D+02
      3  -0.100046D+02  0.533723D+01  0.224924D+02  0.772700D+01 -0.231451D+01
                26            27            28            29            30 
      1   0.209123D+02  0.200544D+02  0.222479D+01  0.344440D+01  0.978079D-01
      2  -0.169237D+02 -0.201628D+02  0.300496D+01 -0.194263D+01 -0.129105D+02
      3   0.525620D+01  0.155379D+01 -0.149457D+00  0.170683D+02 -0.244633D+00
                31            32            33            34            35 
      1   0.355291D+01 -0.234298D+01  0.131341D+02  0.128184D+00 -0.152332D+02
      2  -0.202746D+01 -0.344800D+01  0.115304D+00  0.154824D+02  0.122645D+00
      3  -0.169889D+02 -0.392630D+00 -0.765987D-01 -0.143061D+00  0.133495D+00
                36            37            38            39            40 
      1   0.497188D-01  0.474677D+01 -0.250647D+01  0.121202D+01 -0.200572D+01
      2  -0.232940D+00  0.995324D+01 -0.229535D+02  0.119341D+02 -0.108091D+02
      3  -0.157885D+00  0.115094D+02 -0.338385D+02  0.122811D+02 -0.898864D+01
                41            42            43            44            45 
      1   0.234068D+02 -0.261451D+00 -0.585198D+01  0.305080D+02 -0.261501D+02
      2   0.351379D+00  0.102836D+01 -0.294869D+01  0.931166D+01 -0.108081D+02
      3  -0.103921D+02  0.307028D+01  0.419176D+01  0.359506D+01 -0.143633D+01
                46            47            48            49            50 
      1   0.199898D+01 -0.278863D+01  0.610593D+01 -0.136871D+02 -0.249446D+02
      2   0.204860D+02  0.860339D+01  0.311933D+01  0.298601D+01 -0.111299D+01
      3  -0.235086D+02 -0.112639D+02 -0.879161D+01  0.135911D+02  0.243831D+02
                51            52            53            54            55 
      1  -0.909349D+01  0.173701D+02  0.163742D+02  0.224652D+02  0.171892D+01
      2  -0.379814D+01 -0.170003D+02 -0.138268D+02 -0.171521D+02 -0.100143D+02
      3   0.900221D+01 -0.530394D+01  0.167826D+01 -0.152374D+01  0.802327D+01
                56            57            58            59            60 
      1  -0.341161D+01 -0.236843D+00 -0.307278D+01  0.267922D+01 -0.645844D+01
      2   0.505199D+01  0.469694D+01  0.656237D+01 -0.218734D+01  0.682262D+01
      3   0.434602D+01 -0.543425D+01  0.773152D+01 -0.884854D+01  0.690331D+01
                61            62            63            64            65 
      1  -0.923593D+00 -0.120603D+01  0.395301D-01 -0.171741D+01 -0.242224D+01
      2   0.166485D+01  0.215073D+01  0.245790D+01  0.587030D+00  0.386986D+01
      3  -0.698394D+01  0.685453D+01 -0.442490D+01 -0.751861D+01 -0.841508D+01
                66            67            68            69            70 
      1  -0.146173D+01 -0.361566D+01 -0.220672D+01 -0.233937D+01 -0.366490D+00
      2   0.867860D+01  0.494557D+01  0.117911D+02 -0.508837D+01  0.278232D+01
      3  -0.886097D-01 -0.520800D+01  0.839556D+01 -0.871962D+01 -0.132364D+01
                71            72            73            74            75 
      1   0.123759D+00  0.152068D+01 -0.154642D+01  0.114381D+02  0.329116D+00
      2  -0.783383D+00 -0.180589D+01 -0.239358D+02  0.103434D+01  0.371958D+00
      3  -0.967440D+01  0.434195D+01  0.483540D+01  0.110486D+02 -0.161267D+01
                76            77            78            79            80 
      1   0.232785D+02 -0.465951D+01 -0.116465D+02 -0.566591D+01  0.148771D+01
      2   0.310596D+01 -0.516594D+01 -0.274884D+01 -0.320859D+02  0.195593D+01
      3   0.356582D+02 -0.542232D+01 -0.124329D+02 -0.326014D+01 -0.461962D+01
                81            82            83            84            85 
      1   0.744000D+01  0.148256D+01  0.275814D+01 -0.669788D+01 -0.512176D+01
      2   0.273802D+02  0.137539D+02 -0.170243D+02  0.763480D+01 -0.765304D+01
      3   0.161814D+01  0.173250D+02 -0.287079D+02  0.116702D+02 -0.366727D+01
                86            87            88            89            90 
      1   0.272894D+02 -0.465361D+01 -0.130637D+02  0.276704D+02 -0.273347D+02
      2  -0.453374D+01  0.444773D+01 -0.584047D+01  0.955821D+01 -0.726344D+01
      3  -0.182560D+02  0.491164D+01  0.563977D+01 -0.467707D+00  0.146282D+01
                91            92            93            94            95 
      1  -0.886217D+01 -0.238376D+01 -0.135706D+01 -0.297777D+01 -0.763435D-01
      2  -0.105826D+02  0.100026D+01  0.241844D+01 -0.960206D+00  0.851802D+00
      3  -0.143466D+01  0.869924D+01  0.727733D+01  0.116419D+02  0.252212D+01
                96            97            98            99           100 
      1  -0.861215D+01  0.750961D+00 -0.229619D+01  0.814788D+00 -0.527523D+00
      2  -0.511598D+01  0.575436D+00 -0.198534D+01  0.211799D+01 -0.642020D+00
      3   0.416578D+01  0.894693D+01  0.331309D+01  0.439395D+01  0.341747D+00
               101           102           103           104           105 
      1  -0.811693D+00  0.421302D+01 -0.242608D+01  0.928437D+01 -0.210553D+01
      2   0.163094D+01  0.898782D+01  0.884510D+00  0.108430D+02  0.219344D+01
      3  -0.117983D+02 -0.316260D+01 -0.855358D+01 -0.105597D+01 -0.808292D+01
               106           107           108           109           110 
      1   0.153888D+01 -0.277529D+00 -0.193723D+01  0.444669D+01  0.924097D+01
      2   0.243582D+01 -0.459176D+00 -0.976618D+00 -0.262838D+02  0.282783D+01
      3  -0.215234D+01 -0.940326D+01 -0.423842D+01  0.131084D+02  0.768546D+01
               111           112           113           114           115 
      1  -0.378463D+01  0.195017D+02 -0.991652D+01 -0.902680D+01 -0.622982D+01
      2   0.314601D+01 -0.363091D+01 -0.285802D+01  0.624229D+01 -0.302781D+02
      3  -0.321338D+01  0.325740D+02 -0.125288D+02 -0.121744D+02  0.129643D+01
               116           117           118           119           120 
      1   0.328870D+01  0.354529D+01  0.177143D+01 -0.155477D+01 -0.200979D+01
      2   0.995898D+01  0.280980D+02  0.190459D+01  0.851658D+00  0.571208D+01
      3  -0.557374D+01 -0.164781D+01  0.809729D+01 -0.530674D+01 -0.316238D+01
               121           122           123           124           125 
      1  -0.330491D+00  0.110472D+01 -0.315691D+00 -0.141301D+01  0.138585D+01
      2  -0.288482D+01 -0.173929D+01  0.385296D+00  0.262748D+01 -0.211951D+00
      3  -0.238207D+01  0.179023D+01  0.238197D+01 -0.108425D+01  0.290865D+01
               126           127           128           129           130 
      1   0.753253D+00  0.524568D+00  0.101426D+01  0.737852D+00 -0.288136D+00
      2  -0.258034D+01 -0.476504D+01  0.160498D+01 -0.219242D+01  0.842802D+00
      3   0.114730D+01 -0.388009D+01  0.359802D+01 -0.200670D+01  0.232871D+01
               131           132           133           134           135 
      1  -0.308191D+01 -0.186691D+01 -0.111995D+00  0.972029D+00  0.878380D+00
      2  -0.662948D+01  0.738234D+01 -0.182263D+01  0.555626D+01 -0.635213D+01
      3  -0.151226D+02  0.703102D+01 -0.406562D+00  0.569479D+01 -0.580637D+01
               136           137           138           139           140 
      1   0.196783D+00  0.100361D+01 -0.149893D+01  0.236264D+01  0.216857D+01
      2   0.672739D+00  0.583340D+00  0.483681D+01 -0.306052D+01  0.962524D+00
      3  -0.197280D+01 -0.540348D+01 -0.103820D+01 -0.268807D+01 -0.796618D+01
               141           142           143           144           145 
      1  -0.114366D+01 -0.949147D+00  0.502095D+00 -0.925759D+00 -0.300866D+01
      2   0.312091D+01  0.159493D+01  0.250995D+01  0.235164D+01  0.308062D+01
      3  -0.387719D+01  0.101258D+01 -0.286870D+01 -0.106902D+01  0.520057D+01
               146           147           148           149           150 
      1   0.100068D+01 -0.126653D+01  0.245079D+01 -0.595691D+01  0.283996D+01
      2   0.433852D+00  0.245196D+01  0.521408D+00  0.430770D+01 -0.686348D+01
      3  -0.426016D+01  0.273992D+01 -0.541429D+01  0.136991D+02 -0.676887D+01
               151           152           153           154           155 
      1  -0.157349D+01  0.406807D+01 -0.316828D+01  0.133751D+01 -0.726812D+00
      2   0.123786D+01 -0.388011D+01  0.564223D+01  0.131494D+01 -0.102032D+01
      3   0.310229D+01 -0.485198D+01  0.581629D+01  0.485260D-01 -0.243368D+01
               156           157           158           159           160 
      1   0.215176D+01  0.211290D+01 -0.284346D+01 -0.333730D+01  0.114898D+01
      2   0.279998D+01  0.213660D+01  0.116464D+01 -0.373749D+01  0.588852D-01
      3  -0.298734D+00  0.665170D+00  0.985574D+01 -0.387786D+01 -0.199198D+01
               161           162           163           164           165 
      1  -0.108175D+01  0.180323D+01  0.536928D+01  0.139036D+01  0.382631D+01
      2  -0.271298D+01  0.186223D+01  0.915363D+00 -0.541097D+00  0.348779D+01
      3  -0.205631D+01  0.108920D+01 -0.976196D+01 -0.564811D+01 -0.496954D+01
               166           167           168           169           170 
      1   0.277343D+01  0.572461D+01  0.403740D+01  0.368954D+01  0.409530D+01
      2  -0.115723D+01  0.249191D+01  0.414643D+01  0.119621D+01  0.174510D+01
      3  -0.693220D+01 -0.909880D+01 -0.521521D+01 -0.460613D+01 -0.323952D+01
               171           172           173           174           175 
      1   0.511347D+01 -0.135120D+01 -0.187906D+01  0.352437D+01  0.729661D+00
      2   0.411438D+01  0.290823D+01 -0.182926D+01  0.405044D+01  0.137976D+01
      3  -0.576868D+01 -0.995135D+01 -0.194228D+01  0.377926D+01  0.794888D+00
               176           177           178           179           180 
      1  -0.136872D+01 -0.191364D+01  0.254984D+01  0.459651D+00 -0.167883D+01
      2  -0.170379D+01 -0.191369D+01  0.166580D+01 -0.947866D+00 -0.212515D+01
      3  -0.179926D+00  0.102583D+01  0.179767D+01  0.231544D+01 -0.114529D+01
               181           182           183           184           185 
      1  -0.210624D+01  0.133817D+01 -0.312958D+01  0.463600D+00 -0.310745D-01
      2  -0.574562D+01 -0.250221D+01 -0.393251D+01 -0.129042D+01 -0.600083D+01
      3   0.780228D+01  0.650604D+01  0.452967D+01  0.530829D+01  0.113860D+02
               186           187           188           189           190 
      1  -0.348226D+01 -0.102635D+01 -0.878677D+00 -0.336091D+01 -0.983443D+00
      2  -0.487530D+01 -0.369393D+01 -0.437216D+01 -0.557655D+01 -0.185271D+01
      3   0.566292D+01  0.258134D+01  0.499983D+01  0.574380D+01  0.673495D+01
               191           192           193           194           195 
      1   0.347901D+01 -0.254022D+01 -0.529254D+00 -0.502092D+00 -0.540196D+01
      2  -0.215790D+01  0.604800D+00 -0.125292D+01 -0.640181D+00  0.943402D+00
      3   0.315768D+01  0.366807D+01  0.602798D+01  0.318168D+01  0.149727D+01
               196           197           198           199           200 
      1  -0.207968D+01 -0.178070D+01 -0.242816D+01 -0.485267D+01 -0.371356D+00
      2  -0.932696D+00  0.588538D+00  0.629957D+00  0.569515D+01 -0.211208D+01
      3   0.290740D+01 -0.848235D+00  0.993434D+00 -0.146765D+02  0.414811D+01
               201           202           203           204           205 
      1   0.742244D+01 -0.412114D+00 -0.362282D+01 -0.154317D+01  0.454724D+01
      2  -0.200334D+01 -0.650766D+00  0.206163D+01  0.675125D+00 -0.367590D+01
      3   0.699049D+01  0.299474D+01 -0.405727D+01 -0.181416D+01  0.520678D+01
               206           207           208           209           210 
      1  -0.742310D+00 -0.600663D+01  0.153328D+01  0.324013D+01  0.309497D+00
      2   0.952104D+00  0.241270D+01 -0.117785D+01  0.835546D+00  0.111387D+00
      3  -0.245353D+01 -0.586142D+01 -0.297270D+01  0.311789D+01 -0.272016D+01
               211           212           213           214           215 
      1  -0.681855D+00 -0.141290D+01 -0.594695D+01  0.689756D+00 -0.269437D+01
      2   0.154488D+01 -0.168498D+01  0.127674D+01 -0.144303D+01  0.858668D+00
      3   0.599583D+01 -0.693399D+01  0.287001D+01 -0.292666D+01  0.641264D+00
               216           217           218           219           220 
      1   0.258487D+01  0.632964D+01 -0.584682D+00 -0.768193D+01 -0.121066D+01
      2  -0.380094D+00  0.396161D+01  0.673846D+00  0.956114D+00 -0.680379D+00
      3  -0.106447D+01  0.155097D+02 -0.747144D+00 -0.707961D+01 -0.194457D+01
               221           222           223           224           225 
      1   0.442901D+01  0.129154D+01 -0.558066D+01  0.107500D+01  0.644049D+01
      2  -0.118333D-01 -0.337504D+00 -0.169376D+01  0.154517D+00 -0.637348D-01
      3   0.309695D+01  0.108245D+01 -0.567348D+01 -0.260312D+00  0.579315D+01
               226           227           228           229           230 
      1  -0.585171D+00  0.393716D+01  0.609462D+00  0.593170D+00  0.115587D+01
      2  -0.879960D+01  0.412228D+01 -0.695553D+00  0.100953D+01  0.621094D+00
      3  -0.117094D+02  0.210820D+01 -0.239034D+01  0.205697D+01  0.188378D+00
               231           232           233           234           235 
      1  -0.205436D+01  0.220379D+01 -0.217828D+01  0.577155D+00  0.180670D+01
      2  -0.901803D+00  0.170783D+01 -0.273165D+01 -0.811781D-01  0.289417D+00
      3  -0.699589D+00  0.213420D+01 -0.131525D+01 -0.228493D+00 -0.198617D+00
               236           237           238           239           240 
      1   0.400022D+00 -0.824801D+00  0.163687D+01 -0.120994D+01  0.386288D+01
      2   0.366396D+00 -0.122689D+01  0.578191D-01 -0.274887D+01  0.210540D+01
      3  -0.736066D+00 -0.169957D+01  0.434253D+00 -0.180698D+01  0.132868D+00
               241           242           243           244           245 
      1   0.260055D+01  0.339061D+00  0.148844D+02 -0.170762D+01  0.241764D+01
      2  -0.141703D+01 -0.149661D+01  0.398649D+01 -0.924162D+01 -0.103211D+01
      3  -0.177595D+01 -0.163810D+01 -0.157339D+01  0.113973D+02 -0.269433D+01
               246           247           248           249           250 
      1  -0.134699D+01  0.532832D+00 -0.193625D+01 -0.114704D+01 -0.158450D+01
      2   0.274632D+00  0.315926D+01  0.201612D+01  0.165855D+01  0.356480D+01
      3   0.189863D+01 -0.281251D+01  0.450879D-01 -0.157632D+01 -0.259626D+01
               251           252           253           254           255 
      1  -0.408759D+00 -0.558874D+00 -0.715498D+00  0.500042D+00  0.133105D+01
      2   0.215021D+01  0.200423D+00 -0.575460D-01 -0.171048D+01 -0.262511D+01
      3  -0.358594D+00  0.187639D+00  0.335004D+00 -0.100422D+00  0.160637D+01
               256           257           258           259           260 
      1   0.179563D+01 -0.766017D+00  0.244619D+01 -0.238321D+01  0.198506D+01
      2  -0.189845D+01 -0.200407D+01 -0.263149D+01  0.182242D+00  0.123016D+01
      3   0.106015D+01  0.166951D+01 -0.518056D+00  0.102337D+01 -0.217765D+01
               261           262           263           264           265 
      1  -0.122663D+02 -0.275365D+01 -0.318660D+01  0.667000D+00 -0.425559D+01
      2   0.936526D+01  0.297114D+01  0.210377D+01  0.204709D+01  0.653963D+01
      3   0.161494D+01 -0.453777D+01 -0.612706D+01  0.565665D+00 -0.625783D+01
               266           267           268           269           270 
      1  -0.436699D+01  0.637919D+00 -0.128602D+01  0.291460D+00 -0.330347D+00
      2   0.549909D+00 -0.980460D+00  0.417158D+01  0.754396D+00 -0.464836D+00
      3  -0.675966D+01  0.242350D+01 -0.220132D+01 -0.118507D+01 -0.221838D+00
               271           272           273           274           275 
      1  -0.125671D+01  0.112540D+01  0.236319D+00  0.209606D+00 -0.120523D+01
      2   0.223515D+01 -0.825972D+00 -0.446218D+01 -0.171432D+01 -0.155835D+01
      3  -0.128889D+01  0.201482D+00  0.983152D+00  0.134825D+01 -0.718226D+00
               276           277           278           279           280 
      1   0.651157D+00 -0.568495D-02  0.293210D+01 -0.400282D+01  0.883859D-01
      2   0.104584D+01  0.116730D+01  0.112934D+01 -0.148525D+02  0.366610D+01
      3   0.142704D+01 -0.527472D+00  0.235012D+01 -0.158824D+01  0.547790D+01
               281           282           283           284           285 
      1  -0.660451D+01  0.124869D+01 -0.202398D+01 -0.459820D+01 -0.178755D+01
      2   0.346313D+01 -0.367931D+00  0.309445D+01  0.313797D+01 -0.954802D+00
      3   0.633060D+01 -0.231480D+01  0.632050D+01  0.611863D+01 -0.836051D+00
               286           287           288           289           290 
      1  -0.162193D+00 -0.441243D+01  0.457775D+00  0.943412D+00  0.218534D+01
      2  -0.468950D+00  0.692363D+00  0.371356D+00  0.147349D+01  0.104229D+00
      3   0.870846D+00  0.237193D+01  0.222113D+00  0.907105D+00 -0.139731D+01
               291           292           293           294           295 
      1  -0.154572D+01  0.143121D+01 -0.200486D+01  0.428964D+01 -0.590969D+00
      2  -0.826901D+00 -0.911274D+00  0.806691D+00  0.258406D+00 -0.303618D+01
      3  -0.127400D+01 -0.244617D+00  0.107920D+01 -0.114752D+01 -0.242296D+01
               296           297           298           299           300 
      1  -0.122298D+01  0.141995D+02 -0.180671D+01 -0.452372D+01 -0.173365D+01
      2  -0.537369D+00  0.592303D+01  0.211185D+01 -0.104396D+01  0.807910D+00
      3   0.211813D+00  0.158863D+01 -0.988899D+00  0.422225D+01  0.176982D+01
               301           302           303           304           305 
      1  -0.352845D-01  0.856962D+01 -0.629030D+00 -0.170998D+01 -0.395519D+01
      2  -0.241164D+01  0.246754D+01  0.139002D+01  0.159599D-01  0.111677D+01
      3   0.411962D+01 -0.105196D+02 -0.169898D+01  0.654847D-02  0.258198D+01
               306           307           308           309           310 
      1  -0.267192D+00  0.133552D+01  0.230880D+01  0.253765D+01  0.199020D+01
      2   0.524193D+00  0.124734D+01 -0.145109D+01 -0.197338D+01 -0.196328D+00
      3  -0.165572D+00 -0.150103D+01 -0.120724D+01  0.720626D+00 -0.723114D-01
               311           312           313           314           315 
      1   0.509919D+00  0.316571D+01 -0.893860D+00 -0.597570D+00 -0.108807D+02
      2   0.484822D+00 -0.126040D+01 -0.245831D+01  0.202916D+01  0.109392D+02
      3  -0.484338D+00 -0.155846D+01  0.233055D+01 -0.733118D+00 -0.159977D+01
               316           317           318           319           320 
      1   0.232018D+00 -0.212842D+01  0.513769D+00 -0.468142D+01  0.776481D+01
      2  -0.382573D+00 -0.964117D+00  0.219151D+01 -0.467977D+01  0.105949D+01
      3   0.459783D+00 -0.362092D+01  0.371727D+00 -0.355197D+01  0.108331D+02
               321           322           323           324           325 
      1   0.803150D+00  0.258987D+01 -0.108615D+01  0.134864D+00  0.255363D+01
      2  -0.215655D+00  0.279903D+01 -0.204377D+01 -0.584283D+00  0.179358D+01
      3   0.240494D+01  0.157392D+01 -0.192843D+01  0.216359D+00  0.173204D+01
               326           327           328           329           330 
      1   0.501350D+00 -0.173090D+01  0.128378D-01 -0.326318D-01  0.912080D+00
      2  -0.113483D+01 -0.420807D+01  0.313781D-01 -0.203170D+01  0.437512D+00
      3  -0.234574D+00 -0.373223D+00  0.922484D+00  0.254517D+00  0.167743D+01
               331           332           333 
      1   0.128014D+01  0.193555D+01 -0.200373D+01
      2   0.155256D+00 -0.238690D+01 -0.152510D+02
      3   0.138246D+01  0.197906D+01  0.158622D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.681965D+01 -0.135863D+02  0.797315D+01 -0.924442D+01  0.252980D+02
      2   0.108305D+02  0.234841D+02 -0.889067D+01  0.172896D+02 -0.372167D+02
      3  -0.401082D+01 -0.989784D+01  0.917516D+00 -0.804513D+01  0.119187D+02
      4  -0.106275D+02  0.539462D+01  0.125793D+02  0.573188D+01  0.131366D+02
      5   0.845602D+01  0.668095D+00 -0.788738D+01 -0.257237D+01 -0.276491D+01
      6   0.140852D+02 -0.932790D+01 -0.533427D+01 -0.421556D+01  0.234907D+02
                 6             7             8             9            10 
      1  -0.120584D+02  0.605901D+01 -0.974257D+01 -0.110884D+01  0.114065D+02
      2   0.222948D+02 -0.657813D+01  0.179834D+02 -0.241944D+01 -0.160726D+02
      3  -0.102363D+02  0.519118D+00 -0.824078D+01  0.352828D+01  0.466611D+01
      4  -0.603517D+00  0.106226D+02 -0.217299D+01 -0.446299D+01  0.198102D+01
      5  -0.576532D+00 -0.652940D+01  0.311944D+00  0.676928D+00 -0.781938D+00
      6  -0.686200D+01 -0.410224D+01 -0.735758D+01 -0.459130D+01 -0.216295D+02
                11            12            13            14            15 
      1   0.985484D+01 -0.836023D+00  0.756664D+01 -0.156130D+01  0.747679D+01
      2  -0.226816D+02 -0.373703D+01 -0.186636D+02 -0.121686D+01 -0.166219D+02
      3   0.128267D+02  0.457305D+01  0.110969D+02  0.277816D+01  0.914509D+01
      4  -0.231530D+02 -0.185119D+02 -0.193137D+02 -0.194831D+02 -0.578249D+01
      5  -0.862073D+01 -0.570506D+01 -0.372295D+01 -0.842390D+01  0.175656D+00
      6  -0.740775D+01  0.508279D+01 -0.435590D+01 -0.152147D+02 -0.908098D+01
                16            17            18            19            20 
      1  -0.150512D+01  0.526539D+01  0.166675D+01 -0.157590D+02 -0.458931D+01
      2  -0.209642D+01 -0.129042D+02 -0.501464D+01  0.105364D+02  0.703777D+01
      3   0.360154D+01  0.763878D+01  0.334790D+01  0.522256D+01 -0.244845D+01
      4  -0.154168D+02 -0.578700D+01  0.294856D+01 -0.696738D+01  0.605825D+01
      5  -0.530065D+01 -0.977521D+00  0.248190D+01 -0.396129D+01  0.293657D+01
      6   0.347811D+01 -0.816743D+01  0.433900D+01  0.496345D+01  0.294866D+01
                21            22            23            24            25 
      1  -0.236215D+01 -0.843082D+01 -0.102727D+02 -0.101697D+02 -0.102710D+01
      2   0.139927D+00  0.133193D+02  0.913990D+01  0.114461D+02  0.176922D+01
      3   0.222222D+01 -0.488849D+01  0.113278D+01 -0.127637D+01 -0.742125D+00
      4   0.247638D+01  0.888089D+01  0.945060D+01  0.533853D+01  0.769840D+00
      5   0.505858D+01  0.191086D+01  0.904498D+01  0.203513D+01  0.406592D+01
      6   0.218378D+01  0.440304D+01  0.814304D+01  0.832720D+01 -0.370543D-01
                26            27            28            29            30 
      1  -0.579511D+01  0.309554D+01 -0.113906D+02 -0.883179D-01 -0.551939D+01
      2   0.527000D+01  0.107857D+02  0.444034D+01  0.695671D-01  0.551533D+01
      3   0.525115D+00 -0.138813D+02  0.695028D+01  0.187508D-01  0.405995D-02
      4   0.416601D+01  0.100577D+00 -0.963246D-01 -0.772551D+01  0.365240D+01
      5   0.729924D+00 -0.362960D+01 -0.343060D+01  0.228181D+01 -0.490764D+01
      6   0.619022D+01 -0.606801D+01  0.229607D+01  0.349238D+01 -0.258668D-01
                31            32            33            34            35 
      1  -0.575507D-01  0.428693D+01  0.365854D+01 -0.747583D+01  0.501329D+01
      2   0.338311D-01 -0.112014D+02 -0.364315D+01  0.748865D+01 -0.500475D+01
      3   0.237196D-01  0.691449D+01 -0.153953D-01 -0.128170D-01 -0.853301D-02
      4  -0.783673D+01 -0.478584D-01  0.553775D+01  0.502151D+01  0.751767D+01
      5   0.227706D+01  0.348599D+01 -0.153386D-01  0.210208D+01 -0.283717D-01
      6   0.346785D+01 -0.233851D+01 -0.485070D+01 -0.393656D-02  0.217244D+01
                36            37            38            39            40 
      1   0.125145D+01 -0.131652D+01  0.182860D+01  0.678023D+00  0.641407D+01
      2   0.131517D+01 -0.581826D+01 -0.180703D+01 -0.328756D+01 -0.867482D+01
      3  -0.256663D+01  0.713478D+01 -0.215744D-01  0.260953D+01  0.226075D+01
      4  -0.153339D-01  0.116084D+02 -0.451930D+01 -0.231558D+01 -0.629700D+01
      5   0.234202D-01 -0.455013D+01  0.244671D+01  0.400443D+01  0.399344D+01
      6  -0.934842D-02 -0.117056D+01 -0.325405D+00 -0.433356D+00  0.741417D+00
                41            42            43            44            45 
      1  -0.196075D+02  0.113999D+02  0.157495D+01  0.699333D+01  0.418598D+01
      2   0.203488D+02 -0.117746D+02 -0.759088D+00 -0.682072D+01  0.956531D+01
      3  -0.741304D+00  0.374667D+00 -0.815858D+00 -0.172607D+00 -0.137513D+02
      4   0.273286D+01 -0.327047D+01  0.130305D+00 -0.116607D+01  0.266959D+01
      5   0.420191D+01 -0.274949D+00  0.403834D+01  0.186132D+00 -0.106504D+01
      6  -0.129350D+02  0.929123D+01  0.878014D+00  0.594533D+01  0.699407D+01
                46            47            48            49            50 
      1   0.445204D+01  0.972963D+01  0.972562D+01  0.431936D+01  0.138385D+02
      2  -0.656701D+01 -0.442130D+01 -0.816747D+01 -0.149279D+01 -0.180464D+02
      3   0.211497D+01 -0.530833D+01 -0.155815D+01 -0.282657D+01  0.420794D+01
      4   0.893575D+01  0.131134D+02  0.758502D+01  0.898980D+01 -0.699404D+00
      5   0.599169D+01  0.425803D+01  0.776272D+01  0.262488D+01  0.629459D+01
      6   0.913471D+01  0.411520D+01  0.240815D+01  0.487996D+01 -0.236581D+01
                51            52            53            54            55 
      1   0.744833D+00  0.385963D+01  0.210397D+01  0.105766D+02  0.655203D+01
      2  -0.279658D+01 -0.444622D+01 -0.150752D+01  0.321527D+01 -0.671269D+01
      3   0.205174D+01  0.586586D+00 -0.596454D+00 -0.137919D+02  0.160667D+00
      4   0.372060D+01  0.529489D+01  0.176813D+01  0.103978D+01 -0.125091D+02
      5   0.247494D+01  0.605986D+01  0.203356D+00 -0.546349D+01 -0.128789D+02
      6   0.563208D+01  0.932818D+00  0.415284D+01 -0.436274D+01 -0.840210D+01
                56            57            58            59            60 
      1  -0.102788D+02 -0.146165D+02 -0.128019D+02 -0.196408D+02 -0.815018D+00
      2  -0.279291D+00  0.618749D+01  0.713309D+00  0.118457D+02 -0.500480D+01
      3   0.105581D+02  0.842901D+01  0.120886D+02  0.779511D+01  0.581982D+01
      4  -0.236660D+02 -0.623117D+01 -0.280774D+02 -0.824002D+01 -0.195313D+02
      5  -0.272756D+01 -0.963489D+01 -0.507221D+01 -0.228090D+02  0.468645D+01
      6  -0.495723D+01 -0.359223D+00 -0.102592D+02 -0.558680D+01 -0.514957D+01
                61            62            63            64            65 
      1  -0.107608D+02  0.491368D+00 -0.568281D+01 -0.435904D+02  0.792185D+01
      2   0.387591D+01 -0.501210D+01  0.227808D+01  0.295456D+02 -0.217555D+01
      3   0.688494D+01  0.452073D+01  0.340473D+01  0.140447D+02 -0.574630D+01
      4  -0.583485D+01 -0.158790D+02  0.183451D+01  0.191062D+01  0.103986D+02
      5  -0.842200D+01  0.292857D+01  0.388923D+01  0.251034D+02 -0.225212D+01
      6  -0.146614D+01 -0.506462D+01  0.294331D+01  0.874859D+00 -0.442679D+01
                66            67            68            69            70 
      1   0.231454D+02  0.144681D+02  0.175037D+02 -0.936531D+01  0.190888D+02
      2  -0.129190D+02 -0.675043D+01 -0.113470D+02  0.967856D+01 -0.108885D+02
      3  -0.102263D+02 -0.771762D+01 -0.615668D+01 -0.313254D+00 -0.820028D+01
      4   0.249120D+01  0.114467D+02 -0.546678D+01  0.105398D+02  0.267364D+00
      5  -0.604734D+01 -0.810705D+01  0.115228D+02 -0.503370D+01 -0.685341D+01
      6  -0.351023D+00 -0.188279D+01  0.983460D+01 -0.881895D+01  0.295906D+00
                71            72            73            74            75 
      1  -0.680709D+01 -0.126527D+01  0.195429D+02 -0.296832D+01 -0.101352D+02
      2   0.736342D+01 -0.226298D+01 -0.185940D+02  0.180483D+01  0.100643D+02
      3  -0.556330D+00  0.352826D+01 -0.948976D+00  0.116350D+01  0.708936D-01
      4   0.878672D+01 -0.443258D+01  0.979625D+01 -0.811723D+01 -0.582202D+01
      5  -0.406307D+01 -0.461574D+01 -0.131000D+02 -0.150066D+01  0.930395D+01
      6  -0.706618D+01  0.452911D-01  0.144829D+01  0.486714D+01  0.469149D+00
                76            77            78            79            80 
      1   0.311293D+01 -0.919280D+01 -0.395492D+01 -0.624934D+01 -0.163015D+01
      2  -0.202072D+01  0.196543D+01  0.132576D+01  0.628105D+01  0.245845D+01
      3  -0.109221D+01  0.722736D+01  0.262916D+01 -0.317119D-01 -0.828293D+00
      4  -0.493654D+01  0.888728D+01 -0.351261D+01 -0.291957D+01 -0.457371D+00
      5  -0.225389D+01 -0.855398D+00  0.297413D+00  0.587173D+01  0.118022D+01
      6   0.317100D+01 -0.366690D+01  0.402981D+01  0.458976D+00  0.419912D+01
                81            82            83            84            85 
      1   0.882958D+01 -0.123872D-01  0.552207D+01  0.251007D+01  0.672140D+01
      2   0.491771D+01 -0.521683D+01 -0.103149D+02 -0.328710D+00 -0.918437D+01
      3  -0.137473D+02  0.522922D+01  0.479283D+01 -0.218136D+01  0.246296D+01
      4   0.332667D+01 -0.225118D+01  0.107319D+02 -0.921669D+01  0.495719D+01
      5   0.702681D+01  0.172570D+01 -0.276846D+00  0.568915D+01  0.141450D+01
      6  -0.165831D+00 -0.528042D+01  0.747262D+01 -0.246071D+01  0.755161D+01
                86            87            88            89            90 
      1   0.618250D+01  0.149817D+01 -0.129392D+01  0.141811D+00  0.873431D+01
      2  -0.723817D+01 -0.343998D+00  0.494170D+00 -0.574839D+00  0.497836D+01
      3   0.105568D+01 -0.115417D+01  0.799749D+00  0.433028D+00 -0.137127D+02
      4  -0.185928D+02  0.800710D+01 -0.513836D+01  0.501010D+01 -0.338188D+01
      5   0.706278D+01 -0.250246D+01  0.532066D+01 -0.760213D+00 -0.332511D+01
      6  -0.563226D+01  0.762970D+01 -0.153363D+01  0.485459D+01  0.613854D+01
                91            92            93            94            95 
      1   0.409171D+01 -0.135834D+02 -0.111720D+02 -0.139639D+02 -0.265351D+00
      2   0.272976D+01  0.179493D+02  0.538050D+01  0.202290D+02 -0.142912D+02
      3  -0.682148D+01 -0.436584D+01  0.579148D+01 -0.626505D+01  0.145565D+02
      4  -0.994084D+01 -0.894119D+01  0.652419D+01 -0.138901D+02  0.306556D+02
      5  -0.977218D+01 -0.282498D+01 -0.105425D+02 -0.246314D+01 -0.179935D+02
      6   0.684240D+01 -0.301191D+01  0.279009D+01 -0.866568D+01  0.195013D+02
                96            97            98            99           100 
      1  -0.828998D+01 -0.831855D+01 -0.796773D+01 -0.577087D+01 -0.274755D+02
      2   0.169979D+02  0.346113D+01  0.149037D+02  0.234832D+01  0.118987D+02
      3  -0.870790D+01  0.485743D+01 -0.693595D+01  0.342255D+01  0.155768D+02
      4  -0.160671D+02  0.549220D+01 -0.124175D+02  0.168054D+01  0.287287D+02
      5  -0.209941D+01 -0.854593D+01 -0.126500D+01  0.211366D+01  0.228750D+02
      6  -0.438485D+01  0.306776D+01 -0.510661D+01 -0.394838D+01 -0.141070D+02
               101           102           103           104           105 
      1   0.189659D+02  0.200610D+02  0.149609D+02  0.102828D+02  0.643711D+01
      2  -0.158521D+02 -0.107414D+02 -0.137945D+02 -0.225075D+01 -0.109441D+02
      3  -0.311380D+01 -0.931966D+01 -0.116639D+01 -0.803210D+01  0.450704D+01
      4  -0.350519D+01 -0.131217D+02  0.918382D+00 -0.112183D+02  0.667690D+01
      5  -0.625557D+01 -0.453547D+01 -0.299621D+00  0.701190D+01  0.343318D+01
      6  -0.446304D+01 -0.136992D+01 -0.413738D+01 -0.967783D+01 -0.103785D+02
               106           107           108           109           110 
      1   0.172539D+02  0.421790D+01  0.164023D+01  0.882710D+00 -0.946001D+01
      2  -0.984616D+01 -0.811532D+01 -0.507958D+01 -0.111489D+01  0.778836D+01
      3  -0.740777D+01  0.389742D+01  0.343935D+01  0.232179D+00  0.167164D+01
      4  -0.968880D+01  0.561692D+01  0.275081D+01 -0.208690D+02  0.209447D+00
      5  -0.549153D+01  0.347005D+01 -0.407341D+01 -0.854423D+01  0.699917D+01
      6  -0.753953D+00 -0.830918D+01  0.159241D+01  0.573061D+01  0.310413D+01
               111           112           113           114           115 
      1  -0.262935D+01 -0.120858D+02 -0.751877D+01  0.182815D+01 -0.185612D+01
      2   0.356560D+01  0.798512D+01  0.142450D+01  0.593281D+00  0.166319D+01
      3  -0.936249D+00  0.410069D+01  0.609428D+01 -0.242144D+01  0.192925D+00
      4   0.871132D+01  0.582113D+01 -0.171244D+01 -0.817880D+01  0.515455D+01
      5   0.830834D+01  0.697069D+01 -0.354237D+01 -0.203478D+01  0.506344D+01
      6  -0.218132D+01  0.133168D+01  0.150026D+01  0.505608D+01 -0.754838D+00
               116           117           118           119           120 
      1   0.150863D+01  0.586773D+01  0.783810D+02 -0.160619D+01 -0.195974D+02
      2  -0.234216D+01  0.776361D+01 -0.450006D+02  0.193604D+01  0.134578D+02
      3   0.833538D+00 -0.136313D+02 -0.333805D+02 -0.329851D+00  0.613963D+01
      4  -0.400774D+01 -0.367479D+01  0.865825D+01  0.802623D+01 -0.184184D+01
      5  -0.148211D+01  0.652416D+01 -0.311295D+02  0.716980D+00  0.180080D+02
      6   0.500630D+01 -0.255808D+01 -0.306682D+01 -0.166305D+01  0.275476D+01
               121           122           123           124           125 
      1  -0.135419D+02  0.744784D+01  0.503551D+01 -0.164986D+02  0.142596D+01
      2   0.950941D+01 -0.407634D+01 -0.476312D+01  0.134770D+02 -0.195090D+01
      3   0.403252D+01 -0.337150D+01 -0.272395D+00  0.302164D+01  0.524941D+00
      4   0.976316D+01 -0.935150D+00 -0.464468D+01 -0.196281D+01 -0.349029D+01
      5   0.634013D+01 -0.599809D+01 -0.298279D+01  0.218478D+02 -0.205791D-01
      6  -0.256721D+01 -0.899555D+00  0.287116D+01  0.290299D+01  0.276692D+01
               126           127           128           129           130 
      1   0.130747D+02  0.186854D-01  0.579825D+01 -0.727815D+01  0.427149D+01
      2  -0.108061D+02  0.963551D+00 -0.403185D+01  0.361455D+01 -0.125324D+01
      3  -0.226862D+01 -0.982236D+00 -0.176640D+01  0.366360D+01 -0.301825D+01
      4   0.191422D+01  0.200914D+01  0.250828D+00 -0.133238D+01  0.697567D+01
      5  -0.132633D+02 -0.453605D+01 -0.967744D+00  0.714614D+00 -0.299349D+01
      6  -0.151585D+01 -0.367172D+01  0.269122D+01 -0.185163D+01 -0.191287D+01
               131           132           133           134           135 
      1  -0.134940D+02  0.777872D+01 -0.591720D+01  0.547243D+01 -0.696320D+01
      2   0.184782D+02 -0.638804D+01  0.322220D+01 -0.321035D+01  0.219797D+01
      3  -0.498423D+01 -0.139068D+01  0.269500D+01 -0.226209D+01  0.476523D+01
      4   0.227062D+02 -0.102141D+02 -0.420861D+01 -0.856117D+01  0.819649D+01
      5  -0.102056D+02  0.115625D+02  0.468738D+01  0.876296D+01 -0.105495D+02
      6  -0.169307D+02  0.125546D+02  0.140064D+01  0.113002D+02 -0.111819D+02
               136           137           138           139           140 
      1   0.328891D+02  0.159600D+02  0.931528D+01  0.182259D+02  0.106721D+02
      2  -0.121295D+02 -0.304237D+01 -0.448548D+01 -0.133203D+01  0.554152D+01
      3  -0.207596D+02 -0.129176D+02 -0.482980D+01 -0.168939D+02 -0.162136D+02
      4   0.303215D+02  0.223992D+02  0.890642D+01  0.317365D+02  0.332861D+02
      5   0.175640D+02  0.892647D+01  0.123760D+02  0.123541D+02  0.145497D+02
      6   0.797354D+01  0.554871D+01  0.454690D+01  0.951095D+01  0.116658D+02
               141           142           143           144           145 
      1   0.297046D+01  0.781778D+01  0.190224D+01  0.602886D+01  0.145647D+02
      2   0.920276D+00 -0.504580D+01 -0.513954D+00 -0.377921D+01 -0.978288D+01
      3  -0.389073D+01 -0.277198D+01 -0.138828D+01 -0.224964D+01 -0.478182D+01
      4   0.140465D+02  0.950209D+01  0.103415D+02  0.109071D+02 -0.587302D+01
      5   0.101074D+02  0.160623D+02  0.101805D+02  0.111679D+02  0.118315D+02
      6   0.856085D+01  0.730091D+01  0.834342D+01  0.675443D+01 -0.128057D+01
               146           147           148           149           150 
      1  -0.691866D+01  0.810814D+01 -0.135122D+02  0.828284D+01 -0.324347D+01
      2   0.500094D+01 -0.600040D+01  0.103622D+02 -0.699441D+01  0.652762D+01
      3   0.191772D+01 -0.210774D+01  0.315004D+01 -0.128843D+01 -0.328415D+01
      4   0.738787D+01 -0.185827D+01  0.111401D+02 -0.163226D+02  0.105012D+02
      5  -0.422570D+01  0.970171D+01 -0.885627D+01  0.124834D+02 -0.138276D+02
      6   0.193811D+01 -0.289128D+00  0.427541D+01 -0.599435D+01  0.345755D+01
               151           152           153           154           155 
      1   0.882388D+01 -0.678491D+00  0.431929D+01  0.556559D+01 -0.494884D+01
      2  -0.807527D+01  0.414826D+01 -0.908599D+01  0.380977D+01 -0.510551D+01
      3  -0.748611D+00 -0.346977D+01  0.476670D+01 -0.937537D+01  0.100543D+02
      4  -0.116601D+01  0.722375D+01 -0.650103D+01 -0.169845D+02  0.191034D+02
      5   0.120002D+02 -0.814527D+01  0.152235D+02  0.761430D+01 -0.572981D+01
      6  -0.782390D+00  0.398823D+01 -0.240545D+01 -0.655543D+01  0.478960D+01
               156           157           158           159           160 
      1   0.349825D+01 -0.954926D+00 -0.141559D+02  0.620294D+01  0.146100D+01
      2  -0.435239D+00 -0.131958D+02  0.415015D+02 -0.116097D+02  0.712961D+00
      3  -0.306301D+01  0.141507D+02 -0.273456D+02  0.540677D+01 -0.217396D+01
      4  -0.641095D+01  0.260424D+02 -0.453604D+02  0.141039D+02 -0.760334D+01
      5   0.679310D+01 -0.728959D+01  0.144534D+02 -0.933835D+01  0.886873D+01
      6  -0.398035D+01  0.952596D+01 -0.236598D+02  0.142547D+02 -0.764033D+01
               161           162           163           164           165 
      1   0.539435D+01 -0.313160D+01  0.256357D+02  0.690166D+01  0.103645D+02
      2  -0.780066D+01  0.542057D+01 -0.195100D+02 -0.685355D+01 -0.952451D+01
      3   0.240632D+01 -0.228896D+01 -0.612573D+01 -0.481028D-01 -0.839947D+00
      4   0.121028D+02 -0.113559D+02 -0.292182D+01  0.452694D+01 -0.209897D+01
      5  -0.105698D+02  0.790160D+01  0.170425D+02  0.313090D+01  0.136632D+02
      6   0.157676D+02 -0.106820D+02 -0.257391D+01  0.154237D+01 -0.395013D+01
               166           167           168           169           170 
      1   0.142415D+02  0.736066D+01  0.549918D+01  0.862714D+01  0.177216D+01
      2  -0.131418D+02 -0.747594D+01 -0.942228D+01 -0.916949D+01 -0.528819D+01
      3  -0.109967D+01  0.115280D+00  0.392310D+01  0.542351D+00  0.351603D+01
      4   0.330304D+01  0.453311D+01  0.522860D+01 -0.360838D+01  0.511393D+01
      5   0.814995D+01  0.847466D+01  0.926936D+01  0.139798D+02  0.398106D+01
      6   0.203393D+01 -0.780954D-01 -0.474616D+00 -0.337425D+01  0.190554D+01
               171           172           173           174           175 
      1   0.690524D+01  0.557617D+02 -0.135806D+02 -0.149857D+02 -0.322039D+01
      2  -0.117525D+02 -0.254219D+02  0.216236D+01  0.921781D+01 -0.387110D+01
      3   0.484725D+01 -0.303398D+02  0.114183D+02  0.576790D+01  0.709148D+01
      4  -0.895881D-01 -0.417926D+02  0.202447D+02  0.120609D+02  0.148556D+02
      5   0.151321D+02 -0.271375D+02  0.782294D+01  0.157946D+02  0.259707D+01
      6  -0.369386D+01  0.125536D+02 -0.520373D+01 -0.809178D+01 -0.417152D+01
               176           177           178           179           180 
      1   0.526234D+01 -0.960310D+00 -0.110488D+02  0.124527D+01  0.833621D+01
      2   0.122415D+01  0.323203D+01  0.835663D+01  0.609432D+00 -0.602227D+01
      3  -0.648649D+01 -0.227172D+01  0.269219D+01 -0.185470D+01 -0.231393D+01
      4  -0.114123D+02 -0.512175D+01  0.108829D+02 -0.612024D+01 -0.988948D+01
      5  -0.587334D+01 -0.259465D+01  0.180984D+02 -0.641352D+01 -0.117482D+02
      6   0.534683D+01  0.512565D+01 -0.941754D+01  0.662977D+01  0.650764D+01
               181           182           183           184           185 
      1  -0.572416D+01 -0.118987D+02 -0.934229D+01 -0.626807D+01 -0.205363D+02
      2   0.546483D+01  0.122985D+02  0.534640D+01  0.551307D+01  0.265864D+02
      3   0.259339D+00 -0.399814D+00  0.399589D+01  0.754994D+00 -0.605012D+01
      4   0.231083D+01  0.796332D+00  0.369090D+01  0.388724D+01 -0.799432D+01
      5  -0.139243D+01  0.129456D+01 -0.876403D+00  0.146679D+01 -0.442283D+01
      6   0.698068D+01  0.717020D+01  0.732286D+01  0.214742D+01  0.177944D+02
               186           187           188           189           190 
      1  -0.100082D+02 -0.533515D+01 -0.873226D+01 -0.113446D+02 -0.982766D+00
      2   0.102717D+02  0.196208D+01  0.774376D+01  0.657293D+01  0.133698D+02
      3  -0.263550D+00  0.337307D+01  0.988492D+00  0.477163D+01 -0.123870D+02
      4  -0.409067D+01  0.469471D+01 -0.523035D+01 -0.259145D+01  0.251115D+02
      5  -0.593855D+01  0.207272D+01 -0.499061D+01 -0.564124D+01  0.796868D+01
      6   0.141742D+02  0.233430D+01  0.139053D+02  0.144860D+02  0.129283D+02
               191           192           193           194           195 
      1  -0.695640D+01 -0.178677D+01 -0.603841D+01 -0.210756D+02 -0.690971D+01
      2   0.228481D+02  0.495539D+01  0.177264D+02  0.453067D+02  0.121948D+02
      3  -0.158917D+02 -0.316863D+01 -0.116880D+02 -0.242311D+02 -0.528505D+01
      4   0.283014D+02  0.122037D+02  0.192320D+02  0.293699D+02  0.842896D+01
      5   0.807520D+01  0.669256D+01  0.460677D+01  0.721634D+01  0.378092D+01
      6   0.127056D+02  0.930335D+01  0.875409D+01  0.213870D+02  0.143224D+02
               196           197           198           199           200 
      1  -0.218187D+01 -0.786807D+01 -0.647514D+01 -0.391790D+01  0.751074D+01
      2   0.318952D+01  0.109480D+02  0.867335D+01  0.590065D+01 -0.110609D+02
      3  -0.100765D+01 -0.307994D+01 -0.219821D+01 -0.198275D+01  0.355016D+01
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      6  -0.416627D+00  0.386531D+01  0.254579D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 18:11:33 2021, MaxMem= 10737418240 cpu:           58061.8 elap:            3638.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -15.08852 -15.08849 -15.08848 -15.08847 -15.08847
 Alpha  occ. eigenvalues --  -15.08846 -10.88360 -10.88360 -10.88358 -10.88332
 Alpha  occ. eigenvalues --  -10.88332 -10.88332  -3.89514  -2.63001  -2.63001
 Alpha  occ. eigenvalues --   -2.62596  -1.49958  -1.48714  -1.48713  -1.45803
 Alpha  occ. eigenvalues --   -1.45803  -1.45758  -1.28194  -1.27921  -1.27921
 Alpha  occ. eigenvalues --   -1.16145  -1.16143  -1.14935  -1.08458  -1.07990
 Alpha  occ. eigenvalues --   -1.07988  -1.07805  -1.05644  -1.05642  -1.05358
 Alpha  occ. eigenvalues --   -1.05209  -1.05209  -0.98548  -0.98546  -0.97806
 Alpha  occ. eigenvalues --   -0.96875  -0.96874  -0.96786  -0.94671  -0.93466
 Alpha  occ. eigenvalues --   -0.93465  -0.89547  -0.89545  -0.89189  -0.87642
 Alpha  occ. eigenvalues --   -0.87641  -0.87156  -0.85076  -0.85076  -0.85044
 Alpha  occ. eigenvalues --   -0.84049  -0.83228  -0.83227
 Alpha virt. eigenvalues --   -0.38575  -0.38570  -0.35287  -0.34010  -0.32793
 Alpha virt. eigenvalues --   -0.32793  -0.28958  -0.28263  -0.28262  -0.26859
 Alpha virt. eigenvalues --   -0.26859  -0.25307  -0.24163  -0.24162  -0.24018
 Alpha virt. eigenvalues --   -0.23564  -0.23563  -0.22973  -0.21707  -0.21706
 Alpha virt. eigenvalues --   -0.21364  -0.19471  -0.19260  -0.19258  -0.18439
 Alpha virt. eigenvalues --   -0.18437  -0.18436  -0.17090  -0.17089  -0.16393
 Alpha virt. eigenvalues --   -0.16074  -0.16072  -0.15205  -0.15117  -0.15116
 Alpha virt. eigenvalues --   -0.13464  -0.13260  -0.13256  -0.12820  -0.12477
 Alpha virt. eigenvalues --   -0.12475  -0.12153  -0.11772  -0.11771  -0.10495
 Alpha virt. eigenvalues --   -0.09970  -0.09748  -0.09746  -0.08528  -0.08490
 Alpha virt. eigenvalues --   -0.07471  -0.07468  -0.06611  -0.05239  -0.05236
 Alpha virt. eigenvalues --   -0.04759  -0.04759  -0.04324  -0.04265  -0.03048
 Alpha virt. eigenvalues --   -0.03047  -0.02508  -0.02484  -0.02018  -0.02017
 Alpha virt. eigenvalues --   -0.00064  -0.00064  -0.00010   0.00433   0.01025
 Alpha virt. eigenvalues --    0.01028   0.01764   0.01769   0.02414   0.02573
 Alpha virt. eigenvalues --    0.02576   0.03264   0.03264   0.03276   0.04049
 Alpha virt. eigenvalues --    0.04884   0.04887   0.05259   0.05641   0.05642
 Alpha virt. eigenvalues --    0.06091   0.06130   0.06437   0.06438   0.07638
 Alpha virt. eigenvalues --    0.07644   0.08164   0.08166   0.08815   0.09574
 Alpha virt. eigenvalues --    0.09752   0.09753   0.10069   0.10466   0.10467
 Alpha virt. eigenvalues --    0.11607   0.11912   0.11913   0.12684   0.13670
 Alpha virt. eigenvalues --    0.13671   0.14175   0.14177   0.15041   0.15110
 Alpha virt. eigenvalues --    0.15602   0.15602   0.16516   0.16517   0.17488
 Alpha virt. eigenvalues --    0.17596   0.18505   0.18508   0.18645   0.19153
 Alpha virt. eigenvalues --    0.19156   0.20190   0.20448   0.20449   0.21050
 Alpha virt. eigenvalues --    0.21055   0.21058   0.21063   0.22588   0.22589
 Alpha virt. eigenvalues --    0.22874   0.22878   0.23086   0.23531   0.24550
 Alpha virt. eigenvalues --    0.24552   0.26300   0.27121   0.27411   0.27414
 Alpha virt. eigenvalues --    0.27802   0.27898   0.27903   0.28716   0.28720
 Alpha virt. eigenvalues --    0.29883   0.30208   0.30211   0.32112   0.32113
 Alpha virt. eigenvalues --    0.32246   0.32717   0.32733   0.32734   0.32826
 Alpha virt. eigenvalues --    0.33880   0.33883   0.36306   0.36472   0.36476
 Alpha virt. eigenvalues --    0.37616   0.39377   0.39997   0.40000   0.40603
 Alpha virt. eigenvalues --    0.42219   0.42235   0.42239   0.42669   0.44633
 Alpha virt. eigenvalues --    0.44635   0.45346   0.45350   0.46114   0.46117
 Alpha virt. eigenvalues --    0.48333   0.48545   0.48549   0.50554   0.50556
 Alpha virt. eigenvalues --    0.52371   0.52811   0.53767   0.53775   0.56725
 Alpha virt. eigenvalues --    0.56731   0.58680   0.61269   0.61463   0.61466
 Alpha virt. eigenvalues --    0.62446   0.63039   0.65200   0.65205   0.68683
 Alpha virt. eigenvalues --    0.68867   0.68868   0.69392   0.69941   0.69945
 Alpha virt. eigenvalues --    0.71448   0.71449   0.71810   0.71996   0.71997
 Alpha virt. eigenvalues --    0.72864   0.73945   0.73950   0.74073   0.74710
 Alpha virt. eigenvalues --    0.74712   0.76392   0.76954   0.78904   0.78907
 Alpha virt. eigenvalues --    0.80860   0.80871   0.83054   0.83369   0.83373
 Alpha virt. eigenvalues --    0.84922   0.84929   0.85526   0.88278   0.88284
 Alpha virt. eigenvalues --    0.88780   0.91903   0.91905   0.94091   0.94101
 Alpha virt. eigenvalues --    0.96168   0.99979   0.99989   1.01059   1.05622
 Alpha virt. eigenvalues --    1.05631   1.09206   1.09211   1.10923   1.12019
 Alpha virt. eigenvalues --    1.13318   1.13328   1.13725   1.19063   1.19069
 Alpha virt. eigenvalues --    1.20568   1.24262   1.24271   1.28029   1.28319
 Alpha virt. eigenvalues --    1.28321   1.29628   1.29632   1.29662   1.32951
 Alpha virt. eigenvalues --    1.32957   1.34848   1.37750   1.38756   1.38764
 Alpha virt. eigenvalues --    1.39117   1.42166   1.42173   1.45432   1.45438
 Alpha virt. eigenvalues --    1.45494   1.45838   1.49152   1.49159   1.49204
 Alpha virt. eigenvalues --    1.51003   1.51010   1.52720   1.52728   1.54148
 Alpha virt. eigenvalues --    1.54215   1.56021   1.56024   1.59803   1.59893
 Alpha virt. eigenvalues --    1.59895   1.61432   1.61435   1.62377   1.63297
 Alpha virt. eigenvalues --    1.64824   1.64834   1.66486   1.66489   1.66602
 Alpha virt. eigenvalues --    1.67547   1.68877   1.69054   1.70667   1.70878
 Alpha virt. eigenvalues --    1.70881   1.73522   1.73535   1.75119   1.75761
 Alpha virt. eigenvalues --    1.75980   1.75983   1.76478   1.76479   1.79693
 Alpha virt. eigenvalues --    1.80705   1.80709   1.82611   1.82616   1.83487
 Alpha virt. eigenvalues --    1.84140   1.84147   1.84394   1.86343   1.87037
 Alpha virt. eigenvalues --    1.87349   1.87353   1.88847   1.89137   1.89145
 Alpha virt. eigenvalues --    1.90872   1.90882   1.92069   1.94010   1.94012
 Alpha virt. eigenvalues --    1.96371   1.96563   1.96565   1.97955   1.99363
 Alpha virt. eigenvalues --    2.00792   2.00804   2.05084   2.05087   2.05502
 Alpha virt. eigenvalues --    2.07376   2.07378   2.08413   2.11384   2.12308
 Alpha virt. eigenvalues --    2.12313   2.13869   2.13872   2.14905   2.16873
 Alpha virt. eigenvalues --    2.16876   2.17388   2.19773   2.19784   2.21573
 Alpha virt. eigenvalues --    2.21605   2.21610   2.22155   2.23057   2.23066
 Alpha virt. eigenvalues --    2.27710   2.31681   2.31694   2.32033   2.32238
 Alpha virt. eigenvalues --    2.32240   2.33319   2.40589   2.40593   2.43857
 Alpha virt. eigenvalues --    2.45124   2.45127   2.48564   2.48573   2.48809
 Alpha virt. eigenvalues --    2.49569   2.49573   2.49662   2.50218   2.55187
 Alpha virt. eigenvalues --    2.55194   2.56125   2.56129   2.56436   2.60632
 Alpha virt. eigenvalues --    2.65930   2.65936   2.67226   2.71233   2.71235
 Alpha virt. eigenvalues --    2.77886   2.77889   2.79139   2.86735   2.89235
 Alpha virt. eigenvalues --    2.89237   2.89758   2.90439   2.90441   3.01869
 Alpha virt. eigenvalues --    3.03921   3.03922   3.05056   3.07481   3.07486
 Alpha virt. eigenvalues --    3.09233   3.26915   3.26923   3.27249   3.29031
 Alpha virt. eigenvalues --    3.29912   3.29913  48.81005
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.814177   0.094066   0.084215   0.107367  -0.633101   0.016103
     2  C    0.094066   4.814532  -0.633029   0.107313   0.084246  -0.005425
     3  N    0.084215  -0.633029  13.392308  -1.521291   0.136406  -0.104471
     4  Rh   0.107367   0.107313  -1.521291  20.045215  -1.519966  -1.521657
     5  N   -0.633101   0.084246   0.136406  -1.519966  13.385774  -0.329866
     6  N    0.016103  -0.005425  -0.104471  -1.521657  -0.329866  13.387789
     7  C    0.001356  -0.002122  -0.005397   0.107396   0.038160  -0.632857
     8  C   -0.000227   0.001358   0.016088   0.107224  -0.007975   0.084310
     9  N   -0.008031   0.038279  -0.330623  -1.521018  -0.031195   0.136299
    10  N   -0.005383   0.016082  -0.330272  -1.519736  -0.104289  -0.031275
    11  C   -0.002126   0.001358   0.038333   0.106865  -0.005427  -0.008031
    12  C    0.001357  -0.000231  -0.007940   0.107650   0.016098   0.038149
    13  N    0.038206  -0.007987  -0.031719  -1.520182  -0.330061  -0.329899
    14  H   -0.000087  -0.000163   0.000192   0.013000   0.006130   0.043983
    15  H   -0.000036   0.000243   0.007687   0.155171   0.001029  -0.140067
    16  H   -0.000103   0.000067   0.000445   0.013181   0.003977  -0.190282
    17  H    0.001318  -0.000343   0.001363   0.154843  -0.053952  -0.312039
    18  H    0.000066  -0.000103   0.003991   0.013025   0.000444   0.006105
    19  H   -0.000342   0.001319  -0.054069   0.155218   0.001356   0.001045
    20  H   -0.000164  -0.000087   0.006167   0.013193   0.000195   0.003969
    21  H    0.000244  -0.000036   0.001030   0.154664   0.007649  -0.053844
    22  H   -0.010431   0.450052  -0.189308   0.013056   0.043881   0.000446
    23  H    0.011138   0.270213  -0.313243   0.155093  -0.140124   0.001357
    24  H    0.450042  -0.010348   0.043761   0.013182  -0.190091   0.000191
    25  H    0.270348   0.010940  -0.139997   0.154759  -0.312055   0.007671
    26  H    0.112563  -0.050603  -0.033728   0.224863  -0.785757   0.029238
    27  H    0.123681  -0.004903   0.006954   0.233820  -0.893855   0.049396
    28  H   -0.050579   0.112593  -0.787902   0.225038  -0.033860   0.000650
    29  H   -0.004919   0.123587  -0.895162   0.233873   0.007032   0.004252
    30  H    0.002389  -0.000456  -0.019550   0.224694   0.029342   0.040894
    31  H   -0.005510  -0.001910   0.009972   0.233778   0.049431   0.005461
    32  H    0.000034  -0.001295   0.040967   0.224977   0.000654  -0.019318
    33  H    0.000131  -0.001071   0.005532   0.233691   0.004240   0.009881
    34  H   -0.001294   0.000034   0.000656   0.225001   0.040920  -0.785989
    35  H   -0.001075   0.000138   0.004257   0.233948   0.005386  -0.894059
    36  H   -0.000473   0.002363   0.029252   0.225288  -0.019431  -0.033884
    37  H   -0.001906  -0.005541   0.049767   0.233788   0.009887   0.007066
               7          8          9         10         11         12
     1  C    0.001356  -0.000227  -0.008031  -0.005383  -0.002126   0.001357
     2  C   -0.002122   0.001358   0.038279   0.016082   0.001358  -0.000231
     3  N   -0.005397   0.016088  -0.330623  -0.330272   0.038333  -0.007940
     4  Rh   0.107396   0.107224  -1.521018  -1.519736   0.106865   0.107650
     5  N    0.038160  -0.007975  -0.031195  -0.104289  -0.005427   0.016098
     6  N   -0.632857   0.084310   0.136299  -0.031275  -0.008031   0.038149
     7  C    4.814039   0.094276   0.084180  -0.007915  -0.000228   0.001356
     8  C    0.094276   4.814159  -0.632256   0.038126   0.001361  -0.002120
     9  N    0.084180  -0.632256  13.390167  -0.330047   0.016071  -0.005385
    10  N   -0.007915   0.038126  -0.330047  13.387693  -0.631949   0.083851
    11  C   -0.000228   0.001361   0.016071  -0.631949   4.814380   0.094049
    12  C    0.001356  -0.002120  -0.005385   0.083851   0.094049   4.814169
    13  N    0.016074  -0.005427  -0.104338   0.136160   0.084511  -0.633529
    14  H   -0.010478   0.450051  -0.189304   0.003992  -0.000103   0.000066
    15  H    0.011016   0.270232  -0.313395  -0.054034   0.001317  -0.000340
    16  H    0.450003  -0.010326   0.043855   0.006164  -0.000087  -0.000163
    17  H    0.270231   0.010902  -0.140104   0.001023  -0.000035   0.000244
    18  H   -0.000087  -0.000163   0.000194  -0.188910   0.450165  -0.010580
    19  H   -0.000036   0.000243   0.007699  -0.313476   0.269988   0.011235
    20  H   -0.000103   0.000067   0.000444   0.043689  -0.010198   0.449889
    21  H    0.001315  -0.000343   0.001363  -0.139931   0.010808   0.270500
    22  H    0.000066  -0.000103   0.003987   0.000195  -0.000164  -0.000087
    23  H   -0.000341   0.001318  -0.053983   0.007675   0.000244  -0.000036
    24  H   -0.000164  -0.000087   0.006139   0.000444   0.000067  -0.000103
    25  H    0.000244  -0.000035   0.001032   0.001362  -0.000346   0.001318
    26  H    0.002387  -0.000472  -0.019617   0.000660   0.000033  -0.001290
    27  H   -0.005507  -0.001908   0.009915   0.004257   0.000140  -0.001072
    28  H    0.000034  -0.001296   0.040989   0.029207   0.002367  -0.000497
    29  H    0.000133  -0.001075   0.005541   0.049755  -0.005556  -0.001916
    30  H   -0.001290   0.000033   0.000654  -0.033631  -0.050617   0.112609
    31  H   -0.001075   0.000140   0.004252   0.006935  -0.004962   0.123801
    32  H   -0.000522   0.002393   0.029069  -0.787095   0.112416  -0.050568
    33  H   -0.001917  -0.005543   0.049761  -0.894853   0.123408  -0.004856
    34  H    0.112543  -0.050565  -0.033717  -0.019692  -0.000441   0.002385
    35  H    0.123761  -0.004950   0.006999   0.009931  -0.001907  -0.005491
    36  H   -0.050528   0.112522  -0.787792   0.040934  -0.001295   0.000036
    37  H   -0.004935   0.123626  -0.894851   0.005504  -0.001075   0.000132
              13         14         15         16         17         18
     1  C    0.038206  -0.000087  -0.000036  -0.000103   0.001318   0.000066
     2  C   -0.007987  -0.000163   0.000243   0.000067  -0.000343  -0.000103
     3  N   -0.031719   0.000192   0.007687   0.000445   0.001363   0.003991
     4  Rh  -1.520182   0.013000   0.155171   0.013181   0.154843   0.013025
     5  N   -0.330061   0.006130   0.001029   0.003977  -0.053952   0.000444
     6  N   -0.329899   0.043983  -0.140067  -0.190282  -0.312039   0.006105
     7  C    0.016074  -0.010478   0.011016   0.450003   0.270231  -0.000087
     8  C   -0.005427   0.450051   0.270232  -0.010326   0.010902  -0.000163
     9  N   -0.104338  -0.189304  -0.313395   0.043855  -0.140104   0.000194
    10  N    0.136160   0.003992  -0.054034   0.006164   0.001023  -0.188910
    11  C    0.084511  -0.000103   0.001317  -0.000087  -0.000035   0.450165
    12  C   -0.633529   0.000066  -0.000340  -0.000163   0.000244  -0.010580
    13  N   13.386756   0.000444   0.001357   0.000190   0.007658   0.043901
    14  H    0.000444   1.018612  -0.251787  -0.025544  -0.039858   0.000007
    15  H    0.001357  -0.251787   1.139718  -0.039863   0.064762   0.000097
    16  H    0.000190  -0.025544  -0.039863   1.018734  -0.251779  -0.000034
    17  H    0.007658  -0.039858   0.064762  -0.251779   1.139232   0.000002
    18  H    0.043901   0.000007   0.000097  -0.000034   0.000002   1.018475
    19  H   -0.140151  -0.000013   0.000185   0.000002  -0.000020  -0.251891
    20  H   -0.190247  -0.000001   0.000011   0.000007  -0.000013  -0.025667
    21  H   -0.311864   0.000010   0.000374   0.000097   0.000184  -0.039696
    22  H    0.006128   0.000007  -0.000013  -0.000001   0.000011   0.000007
    23  H    0.001045   0.000097   0.000185   0.000011   0.000375  -0.000013
    24  H    0.003984  -0.000034   0.000002   0.000007   0.000097  -0.000001
    25  H   -0.053929   0.000002  -0.000020  -0.000013   0.000185   0.000011
    26  H    0.040920   0.000070   0.000048  -0.002485   0.019051   0.000010
    27  H    0.005449  -0.000458  -0.000268   0.000211   0.003906  -0.000012
    28  H   -0.019257  -0.000022  -0.000399   0.000010  -0.000115  -0.002488
    29  H    0.009946  -0.000098  -0.000262  -0.000012  -0.000022   0.000210
    30  H   -0.785771   0.000010  -0.000115  -0.000022  -0.000397   0.001636
    31  H   -0.893684  -0.000012  -0.000021  -0.000098  -0.000259  -0.006040
    32  H   -0.033842  -0.002482   0.019038   0.000060   0.000050  -0.036624
    33  H    0.007107   0.000208   0.003897  -0.000461  -0.000269   0.077237
    34  H    0.029317   0.001602   0.020211  -0.036616   0.076125   0.000077
    35  H    0.049428  -0.006041   0.002815   0.077652   0.002228  -0.000457
    36  H    0.000658  -0.036655   0.076295   0.001637   0.020210  -0.000022
    37  H    0.004243   0.077358   0.002709  -0.006036   0.002840  -0.000099
              19         20         21         22         23         24
     1  C   -0.000342  -0.000164   0.000244  -0.010431   0.011138   0.450042
     2  C    0.001319  -0.000087  -0.000036   0.450052   0.270213  -0.010348
     3  N   -0.054069   0.006167   0.001030  -0.189308  -0.313243   0.043761
     4  Rh   0.155218   0.013193   0.154664   0.013056   0.155093   0.013182
     5  N    0.001356   0.000195   0.007649   0.043881  -0.140124  -0.190091
     6  N    0.001045   0.003969  -0.053844   0.000446   0.001357   0.000191
     7  C   -0.000036  -0.000103   0.001315   0.000066  -0.000341  -0.000164
     8  C    0.000243   0.000067  -0.000343  -0.000103   0.001318  -0.000087
     9  N    0.007699   0.000444   0.001363   0.003987  -0.053983   0.006139
    10  N   -0.313476   0.043689  -0.139931   0.000195   0.007675   0.000444
    11  C    0.269988  -0.010198   0.010808  -0.000164   0.000244   0.000067
    12  C    0.011235   0.449889   0.270500  -0.000087  -0.000036  -0.000103
    13  N   -0.140151  -0.190247  -0.311864   0.006128   0.001045   0.003984
    14  H   -0.000013  -0.000001   0.000010   0.000007   0.000097  -0.000034
    15  H    0.000185   0.000011   0.000374  -0.000013   0.000185   0.000002
    16  H    0.000002   0.000007   0.000097  -0.000001   0.000011   0.000007
    17  H   -0.000020  -0.000013   0.000184   0.000011   0.000375   0.000097
    18  H   -0.251891  -0.025667  -0.039696   0.000007  -0.000013  -0.000001
    19  H    1.140363  -0.039623   0.064642   0.000097   0.000186   0.000011
    20  H   -0.039623   1.018515  -0.251593  -0.000034   0.000002   0.000007
    21  H    0.064642  -0.251593   1.138796   0.000002  -0.000020  -0.000013
    22  H    0.000097  -0.000034   0.000002   1.018402  -0.251790  -0.025625
    23  H    0.000186   0.000002  -0.000020  -0.251790   1.139788  -0.039706
    24  H    0.000011   0.000007  -0.000013  -0.025625  -0.039706   1.018728
    25  H    0.000374   0.000097   0.000185  -0.039700   0.064647  -0.251850
    26  H   -0.000115  -0.000022  -0.000396   0.001638   0.020154  -0.036619
    27  H   -0.000021  -0.000098  -0.000258  -0.006041   0.002836   0.077607
    28  H    0.019082   0.000066   0.000046  -0.036677   0.076294   0.001673
    29  H    0.003888  -0.000461  -0.000269   0.077405   0.002680  -0.006034
    30  H    0.020136  -0.036684   0.076124   0.000075   0.000043  -0.002490
    31  H    0.002836   0.077684   0.002158  -0.000458  -0.000269   0.000211
    32  H    0.076273   0.001685   0.020092  -0.000022  -0.000398   0.000010
    33  H    0.002852  -0.006028   0.002823  -0.000099  -0.000262  -0.000012
    34  H    0.000044  -0.002484   0.019029   0.000010  -0.000115  -0.000022
    35  H   -0.000269   0.000209   0.003906  -0.000012  -0.000021  -0.000098
    36  H   -0.000399   0.000010  -0.000115  -0.002485   0.019050   0.000067
    37  H   -0.000263  -0.000012  -0.000022   0.000209   0.003890  -0.000459
              25         26         27         28         29         30
     1  C    0.270348   0.112563   0.123681  -0.050579  -0.004919   0.002389
     2  C    0.010940  -0.050603  -0.004903   0.112593   0.123587  -0.000456
     3  N   -0.139997  -0.033728   0.006954  -0.787902  -0.895162  -0.019550
     4  Rh   0.154759   0.224863   0.233820   0.225038   0.233873   0.224694
     5  N   -0.312055  -0.785757  -0.893855  -0.033860   0.007032   0.029342
     6  N    0.007671   0.029238   0.049396   0.000650   0.004252   0.040894
     7  C    0.000244   0.002387  -0.005507   0.000034   0.000133  -0.001290
     8  C   -0.000035  -0.000472  -0.001908  -0.001296  -0.001075   0.000033
     9  N    0.001032  -0.019617   0.009915   0.040989   0.005541   0.000654
    10  N    0.001362   0.000660   0.004257   0.029207   0.049755  -0.033631
    11  C   -0.000346   0.000033   0.000140   0.002367  -0.005556  -0.050617
    12  C    0.001318  -0.001290  -0.001072  -0.000497  -0.001916   0.112609
    13  N   -0.053929   0.040920   0.005449  -0.019257   0.009946  -0.785771
    14  H    0.000002   0.000070  -0.000458  -0.000022  -0.000098   0.000010
    15  H   -0.000020   0.000048  -0.000268  -0.000399  -0.000262  -0.000115
    16  H   -0.000013  -0.002485   0.000211   0.000010  -0.000012  -0.000022
    17  H    0.000185   0.019051   0.003906  -0.000115  -0.000022  -0.000397
    18  H    0.000011   0.000010  -0.000012  -0.002488   0.000210   0.001636
    19  H    0.000374  -0.000115  -0.000021   0.019082   0.003888   0.020136
    20  H    0.000097  -0.000022  -0.000098   0.000066  -0.000461  -0.036684
    21  H    0.000185  -0.000396  -0.000258   0.000046  -0.000269   0.076124
    22  H   -0.039700   0.001638  -0.006041  -0.036677   0.077405   0.000075
    23  H    0.064647   0.020154   0.002836   0.076294   0.002680   0.000043
    24  H   -0.251850  -0.036619   0.077607   0.001673  -0.006034  -0.002490
    25  H    1.139455   0.076131   0.002275   0.020099   0.002837   0.019071
    26  H    0.076131   0.838527  -0.011312   0.000828   0.001594  -0.002256
    27  H    0.002275  -0.011312   0.836523   0.001620  -0.001772   0.003145
    28  H    0.020099   0.000828   0.001620   0.839566  -0.010973   0.017494
    29  H    0.002837   0.001594  -0.001772  -0.010973   0.837065  -0.000046
    30  H    0.019071  -0.002256   0.003145   0.017494  -0.000046   0.838737
    31  H    0.003897  -0.007410   0.001594  -0.000077  -0.000737  -0.011318
    32  H   -0.000116   0.000264  -0.000099  -0.002257  -0.007434   0.000821
    33  H   -0.000022  -0.000099  -0.000211   0.003165   0.001503   0.001574
    34  H   -0.000398  -0.002251  -0.007417   0.000264  -0.000099  -0.002254
    35  H   -0.000259   0.003152   0.001620  -0.000099  -0.000211  -0.007411
    36  H    0.000047   0.017508  -0.000058  -0.002258   0.003158   0.000264
    37  H   -0.000269  -0.000041  -0.000732  -0.007440   0.001519  -0.000099
              31         32         33         34         35         36
     1  C   -0.005510   0.000034   0.000131  -0.001294  -0.001075  -0.000473
     2  C   -0.001910  -0.001295  -0.001071   0.000034   0.000138   0.002363
     3  N    0.009972   0.040967   0.005532   0.000656   0.004257   0.029252
     4  Rh   0.233778   0.224977   0.233691   0.225001   0.233948   0.225288
     5  N    0.049431   0.000654   0.004240   0.040920   0.005386  -0.019431
     6  N    0.005461  -0.019318   0.009881  -0.785989  -0.894059  -0.033884
     7  C   -0.001075  -0.000522  -0.001917   0.112543   0.123761  -0.050528
     8  C    0.000140   0.002393  -0.005543  -0.050565  -0.004950   0.112522
     9  N    0.004252   0.029069   0.049761  -0.033717   0.006999  -0.787792
    10  N    0.006935  -0.787095  -0.894853  -0.019692   0.009931   0.040934
    11  C   -0.004962   0.112416   0.123408  -0.000441  -0.001907  -0.001295
    12  C    0.123801  -0.050568  -0.004856   0.002385  -0.005491   0.000036
    13  N   -0.893684  -0.033842   0.007107   0.029317   0.049428   0.000658
    14  H   -0.000012  -0.002482   0.000208   0.001602  -0.006041  -0.036655
    15  H   -0.000021   0.019038   0.003897   0.020211   0.002815   0.076295
    16  H   -0.000098   0.000060  -0.000461  -0.036616   0.077652   0.001637
    17  H   -0.000259   0.000050  -0.000269   0.076125   0.002228   0.020210
    18  H   -0.006040  -0.036624   0.077237   0.000077  -0.000457  -0.000022
    19  H    0.002836   0.076273   0.002852   0.000044  -0.000269  -0.000399
    20  H    0.077684   0.001685  -0.006028  -0.002484   0.000209   0.000010
    21  H    0.002158   0.020092   0.002823   0.019029   0.003906  -0.000115
    22  H   -0.000458  -0.000022  -0.000099   0.000010  -0.000012  -0.002485
    23  H   -0.000269  -0.000398  -0.000262  -0.000115  -0.000021   0.019050
    24  H    0.000211   0.000010  -0.000012  -0.000022  -0.000098   0.000067
    25  H    0.003897  -0.000116  -0.000022  -0.000398  -0.000259   0.000047
    26  H   -0.007410   0.000264  -0.000099  -0.002251   0.003152   0.017508
    27  H    0.001594  -0.000099  -0.000211  -0.007417   0.001620  -0.000058
    28  H   -0.000077  -0.002257   0.003165   0.000264  -0.000099  -0.002258
    29  H   -0.000737  -0.007434   0.001503  -0.000099  -0.000211   0.003158
    30  H   -0.011318   0.000821   0.001574  -0.002254  -0.007411   0.000264
    31  H    0.836169   0.001627  -0.001774   0.003138   0.001595  -0.000099
    32  H    0.001627   0.838926  -0.010972   0.017513  -0.000075  -0.002246
    33  H   -0.001774  -0.010972   0.837251  -0.000033  -0.000731  -0.007442
    34  H    0.003138   0.017513  -0.000033   0.838676  -0.011134   0.000840
    35  H    0.001595  -0.000075  -0.000731  -0.011134   0.836355   0.001612
    36  H   -0.000099  -0.002246  -0.007442   0.000840   0.001612   0.839248
    37  H   -0.000210   0.003167   0.001520   0.001586  -0.001774  -0.010836
              37
     1  C   -0.001906
     2  C   -0.005541
     3  N    0.049767
     4  Rh   0.233788
     5  N    0.009887
     6  N    0.007066
     7  C   -0.004935
     8  C    0.123626
     9  N   -0.894851
    10  N    0.005504
    11  C   -0.001075
    12  C    0.000132
    13  N    0.004243
    14  H    0.077358
    15  H    0.002709
    16  H   -0.006036
    17  H    0.002840
    18  H   -0.000099
    19  H   -0.000263
    20  H   -0.000012
    21  H   -0.000022
    22  H    0.000209
    23  H    0.003890
    24  H   -0.000459
    25  H   -0.000269
    26  H   -0.000041
    27  H   -0.000732
    28  H   -0.007440
    29  H    0.001519
    30  H   -0.000099
    31  H   -0.000210
    32  H    0.003167
    33  H    0.001520
    34  H    0.001586
    35  H   -0.001774
    36  H   -0.010836
    37  H    0.836618
 Mulliken charges:
               1
     1  C    0.596986
     2  C    0.596870
     3  N   -1.481642
     4  Rh   1.673677
     5  N   -1.481233
     6  N   -1.481292
     7  C    0.596934
     8  C    0.596443
     9  N   -1.481236
    10  N   -1.481152
    11  C    0.596666
    12  C    0.597315
    13  N   -1.481594
    14  H   -0.052700
    15  H    0.022223
    16  H   -0.052385
    17  H    0.022367
    18  H   -0.052772
    19  H    0.021614
    20  H   -0.052387
    21  H    0.022358
    22  H   -0.052620
    23  H    0.022000
    24  H   -0.052472
    25  H    0.022022
    26  H    0.564835
    27  H    0.571055
    28  H    0.565111
    29  H    0.571080
    30  H    0.564663
    31  H    0.571243
    32  H    0.565328
    33  H    0.570873
    34  H    0.564548
    35  H    0.571083
    36  H    0.565021
    37  H    0.571170
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.566535
     2  C    0.566250
     3  N   -0.345451
     4  Rh   1.673677
     5  N   -0.345343
     6  N   -0.345661
     7  C    0.566916
     8  C    0.565966
     9  N   -0.345045
    10  N   -0.344950
    11  C    0.565508
    12  C    0.567286
    13  N   -0.345688
 Electronic spatial extent (au):  <R**2>=           2772.7821
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0007    Y=              0.0003    Z=              0.0023  Tot=              0.0024
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -31.1600   YY=            -31.1644   ZZ=            -51.7445
   XY=             -0.0015   XZ=             -0.0011   YZ=             -0.0018
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              6.8630   YY=              6.8586   ZZ=            -13.7216
   XY=             -0.0015   XZ=             -0.0011   YZ=             -0.0018
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             21.1193  YYY=            -31.6316  ZZZ=              0.0144  XYY=            -21.1104
  XXY=             31.6365  XXZ=              0.0036  XZZ=              0.0115  YZZ=             -0.0007
  YYZ=             -0.0011  XYZ=              0.0014
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -951.3951 YYYY=           -951.2065 ZZZZ=           -406.9009 XXXY=             -0.0256
 XXXZ=            -32.0742 YYYX=             -0.0169 YYYZ=            -21.4048 ZZZX=             -0.0078
 ZZZY=             -0.0110 XXYY=           -317.1137 XXZZ=           -236.8743 YYZZ=           -236.8514
 XXYZ=             21.3774 YYXZ=             32.0664 ZZXY=              0.0019
 N-N= 1.198185110711D+03 E-N=-3.899862052369D+03  KE= 6.034046329007D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 18:11:34 2021, MaxMem= 10737418240 cpu:               6.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.91296448D-04 1.38903366D-04 8.50858411D-04
 Polarizability= 1.47873068D+02-2.36766975D-03 1.47869736D+02
                -9.99417547D-05-2.53382388D-03 1.22516732D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0046   -0.0001       -0.0290   -0.0223
 2     -0.0046    0.0001        0.0119    0.0059        0.0230    0.0211
 3      0.0290    0.0223       12.8933   12.9342       -0.0128   -0.0059
 4     -0.0119   -0.0059        0.0000    0.0000        0.0307    0.0223
 5    -12.9163  -12.9553       -0.0307   -0.0223        0.0020   -0.0001
 6      0.0128    0.0059       -0.0020    0.0001       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0003    0.0003       -0.0668   -0.0668
 2     -0.0176   -0.0176       -0.0000    0.0000       -0.0668   -0.0668
 3     -0.0176   -0.0176        0.0003    0.0003       -0.0000    0.0000
 4      0.0003    0.0003        0.0176    0.0176        0.0634    0.0634
 5      0.0668    0.0668       38.8025   38.8025       -0.0176   -0.0176
 6    -38.8659  -38.8659       -0.0668   -0.0668       -0.0003   -0.0003
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1066    0.0000        0.4890    0.0004       -0.4413    0.0890
 2      0.1540   -0.0004       -0.1922   -0.0234       -0.0318   -0.0845
 3     -0.0315   -0.0890      -52.0816  -51.7367       -0.1321    0.0234
 4     -0.1135    0.0234        0.0463    0.0000        0.3314   -0.0890
 5     52.0730   51.8212       -0.0440    0.0890       -0.1741    0.0004
 6      0.0524   -0.0234        0.0577   -0.0004        0.0140    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.5977    0.0000       -0.1139    0.0183        0.3310   -0.1526
 2     -0.0922   -0.0183       -0.2708   -0.0392       -0.0823    0.0165
 3      0.5857    0.1526       -5.2424   -6.0660       -0.5907    0.0392
 4      0.0538    0.0392        0.0956    0.0000        0.0135    0.1526
 5      6.2685    6.0495       -0.4418   -0.1526       -0.4982    0.0183
 6      0.3837   -0.0392       -0.1249   -0.0183       -0.1849    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -55.5754  -55.7535      -83.3427  -83.3900        0.4574   -0.0189
 2    -55.6544  -55.7336      -82.9404  -83.3219        0.7596   -0.0189
 3    -55.7080  -55.7336      -82.9636  -83.3900        0.4875    0.1591
 4      0.3684   -0.0681        0.1089   -0.0199       -0.1284    0.0857
 5     -0.1787    0.1779      -24.2010  -25.4518        0.4308    0.0199
 6     24.1964   25.3661        0.0630   -0.1779       -0.5121    0.0681
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.2086   -0.0004   -0.0003    0.0004    3.3662   11.2833
 Low frequencies ---   79.3119   82.1585   89.6210
 Diagonal vibrational polarizability:
       12.5681142      12.4987150      14.3707008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.3063                82.1497                89.6203
 Red. masses --      2.9290                 2.9306                 2.8178
 Frc consts  --      0.0109                 0.0117                 0.0133
 IR Inten    --      0.0043                 0.0049                 0.0046
 RamAct Fr= 1--      1.0406                 1.0384                 0.0420
  Dep-P Fr= 1--      0.7497                 0.7497                 0.7494
  Dep-U Fr= 1--      0.8570                 0.8570                 0.8567
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1486                 0.1483                 0.0060
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.4820                -0.4698                -0.0159
 Delta2 Fr= 1--     -0.0331                -0.0218                -0.0018
 Raman1 Fr= 1--       4.162                  4.154                  0.168
 ROA1   Fr= 1--     -47.329                -45.796                 -1.582
 CID1   Fr= 1--     -11.370                -11.026                 -9.408
 Raman2 Fr= 1--       1.784                  1.780                  0.072
 ROA2   Fr= 1--     -11.302                -11.100                 -0.368
 CID2   Fr= 1--      -6.337                 -6.237                 -5.101
 Raman3 Fr= 1--       3.567                  3.560                  0.144
 ROA3   Fr= 1--     -47.329                -45.796                 -1.582
 CID3   Fr= 1--     -13.268                -12.866                -10.981
 RC180  Fr= 1--       0.714                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06  -0.01     0.18  -0.05  -0.04     0.06  -0.08  -0.11
     2   6     0.06  -0.05  -0.02     0.17  -0.00  -0.04     0.09   0.05  -0.11
     3   7     0.02  -0.06  -0.01    -0.01  -0.04   0.03    -0.04   0.05   0.04
     4  45    -0.02  -0.04   0.00    -0.04   0.02  -0.01    -0.01   0.00   0.05
     5   7    -0.04  -0.03   0.03     0.03   0.05   0.02    -0.05  -0.03   0.03
     6   7    -0.07   0.01   0.01    -0.02   0.03  -0.04     0.06  -0.03   0.02
     7   6    -0.06   0.15  -0.05    -0.03  -0.14   0.06     0.04   0.04  -0.09
     8   6    -0.09   0.10  -0.04     0.05  -0.15   0.06    -0.06  -0.01  -0.09
     9   7     0.01  -0.02   0.04    -0.04  -0.03  -0.01    -0.04  -0.07   0.03
    10   7     0.05  -0.02  -0.02    -0.06  -0.01  -0.04     0.06   0.01   0.03
    11   6     0.11   0.16   0.06    -0.02   0.07   0.03     0.01  -0.06  -0.10
    12   6     0.15   0.10   0.06     0.04   0.08   0.04    -0.07   0.02  -0.10
    13   7    -0.03   0.01  -0.04    -0.02   0.05   0.01    -0.00   0.08   0.03
    14   1    -0.07   0.19  -0.06     0.05  -0.26   0.13    -0.07   0.03  -0.16
    15   1    -0.20   0.04  -0.08     0.19  -0.11   0.05    -0.15  -0.04  -0.10
    16   1    -0.13   0.23  -0.10     0.05  -0.21   0.10     0.03   0.08  -0.16
    17   1     0.06   0.20  -0.03    -0.16  -0.17   0.09     0.13   0.07  -0.10
    18   1     0.24   0.21   0.11     0.01   0.08   0.04    -0.03  -0.10  -0.17
    19   1    -0.01   0.27   0.06    -0.08   0.10   0.07     0.09  -0.13  -0.10
    20   1     0.18   0.23   0.10     0.07   0.14   0.09    -0.10  -0.02  -0.17
    21   1     0.27  -0.01   0.08     0.11   0.04   0.01    -0.15   0.10  -0.11
    22   1     0.10  -0.07  -0.05     0.26  -0.08  -0.07     0.16   0.02  -0.19
    23   1     0.09  -0.00   0.01     0.19   0.14  -0.06     0.11   0.20  -0.12
    24   1     0.03  -0.04  -0.01     0.30  -0.01  -0.08     0.15  -0.07  -0.20
    25   1    -0.01  -0.09  -0.05     0.15  -0.19  -0.04     0.03  -0.22  -0.12
    26   1    -0.03  -0.00   0.08     0.08   0.16   0.09    -0.02   0.04   0.14
    27   1    -0.10  -0.02   0.03    -0.05   0.05   0.01    -0.18  -0.07   0.03
    28   1     0.02  -0.09  -0.02    -0.00  -0.15   0.12    -0.04  -0.03   0.15
    29   1     0.02  -0.05  -0.01    -0.10   0.00   0.02    -0.15   0.14   0.03
    30   1    -0.10   0.11  -0.14    -0.05   0.08  -0.01     0.02   0.04   0.12
    31   1    -0.08  -0.10  -0.03    -0.02   0.02   0.01     0.02   0.20   0.03
    32   1     0.15  -0.08  -0.11    -0.01  -0.02  -0.11     0.01   0.02   0.10
    33   1    -0.04  -0.08  -0.02    -0.13  -0.05  -0.03     0.16   0.03   0.02
    34   1    -0.16  -0.01   0.06     0.07   0.03  -0.15     0.02  -0.03   0.10
    35   1    -0.02  -0.04   0.00    -0.10   0.13  -0.03     0.14  -0.09   0.02
    36   1     0.08   0.03   0.13    -0.12  -0.08  -0.08    -0.01  -0.04   0.11
    37   1     0.02  -0.13   0.03    -0.03   0.06  -0.01    -0.06  -0.17   0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    145.4431               146.0857               167.3231
 Red. masses --      2.9558                 2.9495                 2.6774
 Frc consts  --      0.0368                 0.0371                 0.0442
 IR Inten    --      0.9057                 0.8614                 0.0103
 RamAct Fr= 1--      0.2739                 0.2954                 1.2729
  Dep-P Fr= 1--      0.7499                 0.7481                 0.7000
  Dep-U Fr= 1--      0.8571                 0.8559                 0.8236
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0011
 Beta2  Fr= 1--      0.0391                 0.0421                 0.1747
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0163
 Gamma2 Fr= 1--      1.0447                 1.0883                -2.3788
 Delta2 Fr= 1--      0.1753                 0.1809                -0.3405
 Raman1 Fr= 1--       1.096                  1.182                  5.092
 ROA1   Fr= 1--     105.900                110.263               -239.263
 CID1   Fr= 1--      96.644                 93.310                -46.990
 Raman2 Fr= 1--       0.470                  0.506                  2.097
 ROA2   Fr= 1--      23.670                 24.672                -54.368
 CID2   Fr= 1--      50.405                 48.788                -25.931
 Raman3 Fr= 1--       0.939                  1.011                  4.193
 ROA3   Fr= 1--     105.900                110.263               -239.263
 CID3   Fr= 1--     112.758                109.020                -57.058
 RC180  Fr= 1--       0.714                  0.712                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.07     0.11  -0.03   0.06     0.08  -0.04  -0.01
     2   6     0.12  -0.02   0.05    -0.04  -0.04   0.07    -0.10  -0.00   0.01
     3   7     0.11  -0.04  -0.05    -0.08  -0.04   0.08    -0.09   0.02   0.07
     4  45    -0.01   0.01   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
     5   7    -0.06   0.06   0.08     0.12  -0.00  -0.05     0.08  -0.02  -0.07
     6   7     0.06  -0.04  -0.00     0.01  -0.12   0.09    -0.02   0.09  -0.07
     7   6     0.04  -0.07  -0.08    -0.01  -0.09   0.03    -0.00   0.10  -0.01
     8   6    -0.02  -0.04  -0.09    -0.06   0.10   0.01     0.06  -0.09   0.01
     9   7    -0.05  -0.02  -0.04    -0.05   0.12  -0.08     0.04  -0.09   0.07
    10   7     0.05   0.11   0.09     0.08   0.03   0.01     0.05   0.07   0.07
    11   6     0.03   0.09   0.04     0.07   0.06  -0.08     0.04   0.09   0.01
    12   6    -0.10  -0.07   0.01    -0.01   0.04  -0.09    -0.08  -0.06  -0.01
    13   7    -0.09  -0.09  -0.08    -0.05   0.03  -0.05    -0.06  -0.07  -0.07
    14   1    -0.04  -0.05  -0.14    -0.07   0.17  -0.07     0.07  -0.17   0.10
    15   1    -0.04  -0.03  -0.06    -0.11   0.16   0.14     0.13  -0.14  -0.12
    16   1     0.08  -0.10  -0.09     0.01  -0.14   0.12    -0.05   0.17  -0.10
    17   1     0.04  -0.09  -0.12    -0.01  -0.16  -0.10     0.02   0.18   0.12
    18   1     0.07   0.13   0.13     0.12   0.07  -0.07     0.10   0.13   0.10
    19   1     0.05   0.16  -0.09     0.08   0.09  -0.13     0.05   0.17  -0.11
    20   1    -0.13  -0.14  -0.06    -0.03   0.05  -0.14    -0.12  -0.13  -0.09
    21   1    -0.16  -0.11   0.15    -0.04   0.03  -0.05    -0.16  -0.08   0.12
    22   1     0.17  -0.05   0.00    -0.08  -0.04   0.16    -0.17   0.03   0.09
    23   1     0.17  -0.01   0.15    -0.10  -0.05  -0.02    -0.17  -0.03  -0.11
    24   1    -0.06   0.06   0.15     0.18  -0.02   0.01     0.16  -0.04  -0.09
    25   1    -0.07   0.08  -0.03     0.16  -0.05   0.16     0.14  -0.10   0.11
    26   1    -0.05   0.06   0.16     0.11   0.03  -0.16     0.08   0.00  -0.14
    27   1    -0.13   0.12   0.07     0.23  -0.01  -0.04     0.15  -0.04  -0.06
    28   1     0.09  -0.07  -0.17    -0.07  -0.04   0.16    -0.08   0.04   0.14
    29   1     0.22  -0.07  -0.04    -0.16  -0.06   0.07    -0.17   0.03   0.06
    30   1    -0.06  -0.10  -0.22    -0.06   0.04  -0.07    -0.04  -0.08  -0.15
    31   1    -0.18  -0.18  -0.06    -0.10   0.04  -0.05    -0.12  -0.13  -0.06
    32   1     0.05   0.08   0.21     0.10   0.00   0.07     0.07   0.05   0.14
    33   1     0.10   0.21   0.08     0.14   0.05   0.00     0.09   0.13   0.06
    34   1     0.09  -0.03   0.05     0.01  -0.10   0.21    -0.05   0.08  -0.15
    35   1     0.11  -0.08  -0.00     0.02  -0.24   0.07    -0.04   0.17  -0.06
    36   1    -0.07  -0.03  -0.05    -0.02   0.11  -0.21     0.00  -0.09   0.15
    37   1    -0.10  -0.02  -0.04    -0.10   0.23  -0.06     0.07  -0.17   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    217.6300               219.9432               225.8217
 Red. masses --      2.8494                 2.8634                 2.9493
 Frc consts  --      0.0795                 0.0816                 0.0886
 IR Inten    --      3.9561                 3.8975                18.2078
 RamAct Fr= 1--      2.9805                 3.0299                 0.0449
  Dep-P Fr= 1--      0.7494                 0.7499                 0.7429
  Dep-U Fr= 1--      0.8568                 0.8571                 0.8525
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4256                 0.4328                 0.0064
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.1576                 0.1743                -0.0079
 Delta2 Fr= 1--      0.2293                 0.2288                 0.0004
 Raman1 Fr= 1--      11.922                 12.120                  0.180
 ROA1   Fr= 1--      22.468                 24.054                 -0.744
 CID1   Fr= 1--       1.885                  1.985                 -4.142
 Raman2 Fr= 1--       5.107                  5.194                  0.077
 ROA2   Fr= 1--       1.948                  2.353                 -0.193
 CID2   Fr= 1--       0.381                  0.453                 -2.523
 Raman3 Fr= 1--      10.214                 10.388                  0.153
 ROA3   Fr= 1--      22.468                 24.054                 -0.744
 CID3   Fr= 1--       2.200                  2.316                 -4.859
 RC180  Fr= 1--       0.714                  0.714                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.01    -0.05  -0.09   0.00    -0.03  -0.01  -0.04
     2   6     0.01  -0.07   0.00     0.01  -0.08  -0.00    -0.03   0.01  -0.04
     3   7     0.14  -0.06  -0.11    -0.01  -0.07   0.03     0.09   0.04  -0.04
     4  45    -0.00  -0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.08
     5   7     0.12  -0.03  -0.11    -0.10  -0.05   0.03     0.06  -0.08  -0.04
     6   7    -0.06  -0.01   0.02    -0.08   0.12  -0.10     0.03   0.12  -0.06
     7   6    -0.07   0.01  -0.01    -0.08   0.01   0.01     0.01  -0.02  -0.04
     8   6    -0.08  -0.07  -0.00     0.02   0.02   0.01     0.01  -0.02  -0.04
     9   7    -0.05  -0.10   0.03    -0.03   0.10  -0.10    -0.09   0.08  -0.06
    10   7     0.01   0.07   0.07     0.13   0.07   0.08     0.00  -0.11  -0.04
    11   6    -0.02   0.01  -0.01     0.10  -0.03  -0.00     0.03   0.01  -0.04
    12   6    -0.05   0.09  -0.01     0.01  -0.02  -0.00     0.02   0.01  -0.04
    13   7     0.03   0.13   0.07     0.08   0.02   0.08    -0.10  -0.03  -0.04
    14   1    -0.07  -0.06   0.02     0.03  -0.05   0.09    -0.01  -0.12  -0.03
    15   1    -0.09  -0.10  -0.05     0.14   0.05   0.01     0.12   0.02  -0.03
    16   1    -0.08   0.03  -0.06    -0.03  -0.05   0.07     0.09  -0.09  -0.03
    17   1    -0.04   0.04   0.04    -0.20  -0.03   0.03    -0.10  -0.06  -0.04
    18   1    -0.07  -0.02  -0.08     0.04  -0.06  -0.02     0.12   0.04  -0.04
    19   1     0.04  -0.06   0.01     0.18  -0.09  -0.04    -0.04   0.07  -0.04
    20   1    -0.06   0.05  -0.03    -0.03  -0.09  -0.08     0.03   0.11  -0.04
    21   1    -0.10   0.16  -0.04    -0.09   0.04   0.02     0.09  -0.05  -0.03
    22   1    -0.06  -0.03   0.06     0.05  -0.09  -0.05    -0.09   0.07  -0.05
    23   1    -0.01  -0.21   0.02     0.04  -0.03   0.04    -0.04  -0.08  -0.04
    24   1    -0.07   0.02   0.08    -0.03  -0.07   0.02    -0.11  -0.04  -0.04
    25   1     0.04   0.17   0.01    -0.08  -0.12  -0.04    -0.02   0.07  -0.04
    26   1     0.09  -0.07  -0.29    -0.08  -0.04   0.10     0.03  -0.11  -0.16
    27   1     0.30  -0.07  -0.09    -0.16  -0.03   0.02     0.17  -0.16  -0.02
    28   1     0.12  -0.01  -0.29    -0.01  -0.09   0.08     0.08   0.08  -0.17
    29   1     0.32  -0.09  -0.09    -0.06  -0.07   0.02     0.23   0.07  -0.02
    30   1     0.03   0.10   0.20     0.10  -0.02   0.21    -0.12   0.01  -0.19
    31   1     0.11   0.23   0.06     0.17   0.13   0.07    -0.24  -0.10  -0.02
    32   1    -0.02   0.07   0.18     0.10   0.07   0.23     0.05  -0.12  -0.18
    33   1     0.09   0.14   0.06     0.22   0.18   0.07    -0.05  -0.25  -0.02
    34   1    -0.08  -0.01   0.05    -0.04   0.10  -0.26     0.08   0.11  -0.22
    35   1    -0.05  -0.03   0.02    -0.14   0.27  -0.08     0.03   0.29  -0.03
    36   1    -0.05  -0.09   0.08    -0.06   0.07  -0.25    -0.13   0.04  -0.22
    37   1    -0.04  -0.14   0.02    -0.08   0.25  -0.08    -0.20   0.22  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    251.8832               289.5113               290.1385
 Red. masses --      4.9302                 2.0243                 2.0434
 Frc consts  --      0.1843                 0.1000                 0.1013
 IR Inten    --      0.0006                 1.4305                 1.5222
 RamAct Fr= 1--     16.6136                 0.7901                 0.8078
  Dep-P Fr= 1--      0.0616                 0.7462                 0.7488
  Dep-U Fr= 1--      0.1161                 0.8546                 0.8563
 Alpha2 Fr= 1--      0.3192                 0.0001                 0.0000
 Beta2  Fr= 1--      0.3215                 0.1125                 0.1153
 AlphaG Fr= 1--      0.4496                -0.0000                -0.0000
 Gamma2 Fr= 1--      8.2252                 0.4798                 0.4464
 Delta2 Fr= 1--      0.1577                -0.1706                -0.1682
 Raman1 Fr= 1--      66.454                  3.161                  3.231
 ROA1   Fr= 1--     794.663                 40.600                 37.472
 CID1   Fr= 1--      11.958                 12.846                 11.596
 Raman2 Fr= 1--       3.858                  1.351                  1.384
 ROA2   Fr= 1--     196.142                 12.880                 12.058
 CID2   Fr= 1--      50.838                  9.537                  8.715
 Raman3 Fr= 1--       7.716                  2.701                  2.767
 ROA3   Fr= 1--     794.663                 40.600                 37.472
 CID3   Fr= 1--     102.984                 15.031                 13.542
 RC180  Fr= 1--      -0.768                  0.709                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.18   0.00     0.06  -0.07  -0.00    -0.05   0.09   0.01
     2   6     0.03   0.18  -0.00    -0.07  -0.07   0.01     0.08   0.04  -0.00
     3   7    -0.04   0.14  -0.02     0.04  -0.03  -0.03    -0.05  -0.01  -0.01
     4  45    -0.00  -0.00  -0.00    -0.02   0.03  -0.00    -0.03  -0.02   0.00
     5   7     0.08   0.12   0.02    -0.04   0.03  -0.01     0.05   0.01  -0.03
     6   7    -0.15   0.01   0.02     0.03  -0.01   0.03     0.01  -0.06   0.00
     7   6    -0.18  -0.05   0.00     0.04   0.03  -0.01     0.05   0.12  -0.01
     8   6    -0.17  -0.07  -0.00     0.02  -0.03  -0.00     0.12  -0.05   0.01
     9   7    -0.11  -0.10  -0.02    -0.03   0.01   0.02    -0.02   0.06  -0.02
    10   7     0.14  -0.04  -0.02     0.04   0.06   0.01     0.03  -0.01   0.03
    11   6     0.14  -0.11  -0.00     0.00  -0.13  -0.01     0.02  -0.03  -0.01
    12   6     0.13  -0.13   0.00     0.13   0.01   0.01     0.02   0.02  -0.00
    13   7     0.06  -0.13   0.02    -0.04  -0.05  -0.02    -0.03   0.00   0.03
    14   1    -0.15  -0.01   0.02     0.01  -0.10   0.01     0.11  -0.26   0.13
    15   1    -0.20  -0.08  -0.01     0.08  -0.03  -0.04     0.33  -0.06  -0.11
    16   1    -0.12  -0.08  -0.02     0.01   0.08  -0.06    -0.09   0.27  -0.11
    17   1    -0.21  -0.06   0.01     0.09   0.08   0.03     0.21   0.25   0.12
    18   1     0.08  -0.13   0.02    -0.19  -0.22  -0.12    -0.00  -0.06  -0.05
    19   1     0.17  -0.14  -0.01     0.10  -0.31   0.12     0.05  -0.08   0.02
    20   1     0.13  -0.07  -0.02     0.20   0.20   0.13     0.03   0.07  -0.00
    21   1     0.16  -0.15   0.01     0.32  -0.07  -0.11     0.05   0.01  -0.03
    22   1     0.06   0.13   0.02    -0.19   0.01   0.10     0.21  -0.06  -0.07
    23   1     0.03   0.22  -0.01    -0.15  -0.19  -0.07     0.16   0.17   0.09
    24   1    -0.00   0.15  -0.02     0.21  -0.03  -0.07    -0.19   0.07   0.11
    25   1     0.06   0.21   0.01     0.08  -0.20   0.08    -0.07   0.24  -0.08
    26   1     0.08   0.11   0.00    -0.01   0.10   0.05     0.01  -0.04  -0.15
    27   1     0.10   0.11   0.02    -0.10   0.04  -0.02     0.16  -0.01  -0.02
    28   1    -0.03   0.13   0.01     0.02   0.02  -0.14    -0.05  -0.09   0.06
    29   1    -0.06   0.14  -0.02     0.14  -0.06  -0.02    -0.12   0.00  -0.02
    30   1     0.05  -0.12  -0.00    -0.08   0.03  -0.16    -0.06   0.03   0.04
    31   1     0.04  -0.15   0.02    -0.12  -0.15  -0.01    -0.03   0.01   0.03
    32   1     0.12  -0.03   0.01    -0.05   0.10   0.13     0.02  -0.02   0.09
    33   1     0.15  -0.02  -0.02     0.12   0.15  -0.00     0.07   0.03   0.02
    34   1    -0.13   0.01  -0.00     0.02   0.00   0.10    -0.09  -0.07   0.12
    35   1    -0.15   0.04   0.02     0.06  -0.07   0.02     0.05  -0.17  -0.01
    36   1    -0.09  -0.09   0.01    -0.08  -0.01   0.02    -0.09   0.01  -0.16
    37   1    -0.09  -0.12  -0.02    -0.04   0.02   0.02    -0.05   0.19  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    311.9051               332.0750               332.8181
 Red. masses --      1.7074                 3.3015                 3.3205
 Frc consts  --      0.0979                 0.2145                 0.2167
 IR Inten    --      0.0010                 6.6984                 6.7156
 RamAct Fr= 1--      2.5035                 2.3588                 2.3056
  Dep-P Fr= 1--      0.3581                 0.7495                 0.7498
  Dep-U Fr= 1--      0.5274                 0.8568                 0.8570
 Alpha2 Fr= 1--      0.0214                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2200                 0.3368                 0.3293
 AlphaG Fr= 1--     -0.0638                -0.0000                 0.0000
 Gamma2 Fr= 1--     -2.8643                -3.5772                -3.5907
 Delta2 Fr= 1--     -0.2982                -0.1876                -0.1911
 Raman1 Fr= 1--      10.014                  9.435                  9.222
 ROA1   Fr= 1--    -284.514               -349.416               -350.820
 CID1   Fr= 1--     -28.412                -37.034                -38.041
 Raman2 Fr= 1--       2.640                  4.042                  3.952
 ROA2   Fr= 1--     -66.358                -84.352                -84.648
 CID2   Fr= 1--     -25.131                -20.869                -21.421
 Raman3 Fr= 1--       5.281                  8.084                  7.903
 ROA3   Fr= 1--    -284.514               -349.416               -350.820
 CID3   Fr= 1--     -53.877                -43.223                -44.389
 RC180  Fr= 1--       0.055                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.00    -0.05  -0.05   0.01    -0.08  -0.06  -0.00
     2   6     0.07   0.00  -0.00     0.02   0.01   0.01     0.06  -0.11  -0.00
     3   7    -0.05  -0.03   0.05     0.00   0.02   0.09    -0.03  -0.11   0.05
     4  45     0.00  -0.00  -0.00     0.09   0.01   0.00    -0.01   0.09  -0.00
     5   7     0.03  -0.05  -0.05    -0.01  -0.08   0.04    -0.01  -0.08  -0.10
     6   7     0.02   0.05  -0.05    -0.10  -0.04   0.06     0.03   0.01   0.09
     7   6     0.01  -0.06   0.00    -0.12   0.05  -0.00     0.02   0.01   0.01
     8   6    -0.03   0.06  -0.00    -0.05  -0.10  -0.00    -0.05  -0.04   0.01
     9   7     0.05  -0.03   0.05    -0.08  -0.02  -0.09    -0.07  -0.02   0.05
    10   7    -0.00   0.06   0.05    -0.08   0.07   0.00     0.03  -0.03  -0.11
    11   6    -0.03  -0.06  -0.00    -0.11   0.01  -0.01     0.06   0.01  -0.00
    12   6     0.05   0.04   0.00     0.00   0.05  -0.01     0.03  -0.11  -0.01
    13   7    -0.06  -0.00  -0.05    -0.02   0.02  -0.10     0.09  -0.07   0.01
    14   1    -0.03   0.18  -0.09    -0.03  -0.19   0.13    -0.06  -0.07  -0.01
    15   1    -0.17   0.06   0.07     0.09  -0.11  -0.09    -0.04  -0.05  -0.01
    16   1     0.09  -0.16   0.09    -0.17   0.13  -0.11     0.03   0.03  -0.06
    17   1    -0.10  -0.15  -0.08    -0.02   0.13   0.09     0.05   0.03   0.03
    18   1    -0.15  -0.12  -0.10    -0.17  -0.02  -0.05     0.11   0.07   0.12
    19   1     0.04  -0.18   0.08    -0.08  -0.06   0.05     0.01   0.11  -0.07
    20   1     0.10   0.16   0.10     0.05   0.09   0.11    -0.00  -0.18  -0.06
    21   1     0.18  -0.01  -0.08     0.10   0.02  -0.07    -0.06  -0.09   0.06
    22   1     0.18  -0.07  -0.10     0.05   0.02  -0.08     0.15  -0.15  -0.11
    23   1     0.14   0.13   0.08     0.05   0.07   0.04     0.13  -0.01   0.09
    24   1    -0.20   0.01   0.10    -0.09  -0.07   0.00    -0.18  -0.05   0.13
    25   1    -0.08   0.17  -0.08    -0.06  -0.03  -0.02    -0.11   0.08  -0.09
    26   1    -0.00  -0.11  -0.17    -0.02  -0.13   0.09    -0.05  -0.12  -0.29
    27   1     0.17  -0.06  -0.03    -0.06  -0.07   0.04     0.18  -0.15  -0.07
    28   1    -0.04  -0.10   0.17     0.03   0.03   0.24    -0.02  -0.18   0.18
    29   1    -0.17   0.00   0.03    -0.16   0.03   0.07    -0.17  -0.10   0.04
    30   1    -0.09   0.06  -0.17    -0.02   0.05  -0.29     0.12  -0.12   0.06
    31   1    -0.14  -0.11  -0.03    -0.17  -0.11  -0.08     0.13  -0.03   0.00
    32   1    -0.07   0.08   0.17    -0.13   0.11   0.03     0.06  -0.02  -0.30
    33   1     0.09   0.15   0.04    -0.06   0.11  -0.00    -0.09  -0.20  -0.08
    34   1     0.09   0.05  -0.17    -0.18  -0.04   0.20     0.04   0.03   0.22
    35   1    -0.03   0.17  -0.03    -0.07  -0.19   0.04     0.06  -0.13   0.07
    36   1     0.10   0.02   0.17    -0.13  -0.07  -0.28    -0.11  -0.03   0.13
    37   1     0.08  -0.15   0.03    -0.18   0.16  -0.07    -0.04  -0.09   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    402.3115               403.0990               403.5553
 Red. masses --      4.0000                 4.4349                 4.1794
 Frc consts  --      0.3814                 0.4246                 0.4010
 IR Inten    --      0.4422                 0.3988                 0.3922
 RamAct Fr= 1--      3.2763                 2.0748                 2.7651
  Dep-P Fr= 1--      0.7499                 0.7495                 0.7500
  Dep-U Fr= 1--      0.8570                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4680                 0.2963                 0.3950
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.5300                 0.3108                 0.4767
 Delta2 Fr= 1--      0.2456                 0.1365                 0.2024
 Raman1 Fr= 1--      13.105                  8.299                 11.061
 ROA1   Fr= 1--      58.738                 34.209                 52.239
 CID1   Fr= 1--       4.482                  4.122                  4.723
 Raman2 Fr= 1--       5.616                  3.556                  4.740
 ROA2   Fr= 1--      10.754                  6.368                  9.821
 CID2   Fr= 1--       1.915                  1.791                  2.072
 Raman3 Fr= 1--      11.232                  7.111                  9.480
 ROA3   Fr= 1--      58.738                 34.209                 52.239
 CID3   Fr= 1--       5.230                  4.811                  5.510
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.07  -0.04     0.01   0.10  -0.08    -0.00  -0.05   0.04
     2   6    -0.01  -0.03  -0.04    -0.04  -0.12  -0.08     0.02   0.05   0.04
     3   7    -0.04  -0.05  -0.02    -0.14  -0.17  -0.11     0.05   0.06   0.03
     4  45     0.00  -0.07   0.04     0.05   0.03   0.07    -0.06   0.02   0.06
     5   7    -0.04   0.12  -0.07    -0.05   0.18  -0.09     0.02  -0.08   0.03
     6   7     0.08   0.08   0.05    -0.10  -0.11  -0.08    -0.10  -0.11  -0.07
     7   6     0.06   0.03   0.05    -0.07  -0.04  -0.05    -0.08  -0.03  -0.07
     8   6    -0.06  -0.01   0.05     0.05   0.02  -0.05     0.11   0.02  -0.07
     9   7    -0.09   0.01   0.04     0.10  -0.02  -0.04     0.19  -0.03  -0.10
    10   7    -0.07   0.19  -0.10     0.01  -0.02   0.01    -0.04   0.11  -0.05
    11   6    -0.08   0.09  -0.07     0.01  -0.02   0.02    -0.04   0.04  -0.05
    12   6     0.07  -0.06  -0.07    -0.03   0.02   0.02     0.08  -0.05  -0.05
    13   7     0.16  -0.04  -0.07    -0.04   0.01   0.02     0.16  -0.04  -0.08
    14   1    -0.09  -0.00  -0.04     0.09   0.05   0.04     0.17   0.07   0.09
    15   1    -0.09   0.00   0.09     0.05   0.01  -0.07     0.14   0.00  -0.12
    16   1     0.09   0.05  -0.05    -0.14  -0.03   0.06    -0.14  -0.04   0.06
    17   1     0.08   0.06   0.09    -0.08  -0.05  -0.08    -0.09  -0.06  -0.11
    18   1    -0.15   0.13   0.09    -0.00  -0.04  -0.02    -0.09   0.06   0.04
    19   1    -0.08   0.13  -0.13     0.02  -0.04   0.05    -0.04   0.06  -0.09
    20   1     0.12  -0.11   0.07    -0.05   0.00  -0.02     0.11  -0.11   0.07
    21   1     0.11  -0.05  -0.12    -0.06   0.02   0.05     0.10  -0.05  -0.09
    22   1    -0.00  -0.06   0.02    -0.03  -0.21   0.10     0.04   0.06  -0.04
    23   1    -0.02  -0.04  -0.06    -0.07  -0.13  -0.14     0.04   0.07   0.08
    24   1     0.03   0.11   0.06     0.05   0.17   0.08     0.01  -0.08  -0.04
    25   1    -0.01   0.08  -0.06    -0.01   0.13  -0.13     0.01  -0.08   0.08
    26   1    -0.02   0.16  -0.07    -0.03   0.21   0.01     0.00  -0.04  -0.19
    27   1    -0.04   0.14  -0.07    -0.15   0.17  -0.09     0.20  -0.19   0.06
    28   1    -0.04  -0.06   0.01    -0.14  -0.23  -0.04     0.01   0.02  -0.19
    29   1    -0.06  -0.00  -0.02    -0.23  -0.17  -0.12     0.26   0.09   0.06
    30   1     0.15  -0.06   0.06     0.01   0.00  -0.18     0.19  -0.08  -0.06
    31   1     0.23   0.06  -0.08    -0.22  -0.07   0.05     0.20  -0.02  -0.09
    32   1    -0.11   0.20   0.01    -0.01   0.03  -0.20    -0.06   0.11  -0.00
    33   1    -0.02   0.30  -0.12    -0.06  -0.20   0.03     0.02   0.11  -0.05
    34   1     0.06   0.05  -0.16    -0.16  -0.13  -0.10    -0.13  -0.10   0.02
    35   1     0.09   0.29   0.08    -0.10  -0.10  -0.08    -0.05  -0.18  -0.07
    36   1    -0.05  -0.00  -0.18     0.13  -0.01  -0.04     0.24  -0.00  -0.03
    37   1    -0.21   0.18   0.07     0.05  -0.04  -0.04     0.24  -0.10  -0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    462.0651               462.7682               505.7485
 Red. masses --      4.0278                 4.0376                 4.5179
 Frc consts  --      0.5067                 0.5094                 0.6809
 IR Inten    --      7.5279                 7.5500                 0.0010
 RamAct Fr= 1--      5.2217                 5.2652                50.0863
  Dep-P Fr= 1--      0.7500                 0.7500                 0.0015
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0029
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.1092
 Beta2  Fr= 1--      0.7460                 0.7522                 0.0246
 AlphaG Fr= 1--      0.0000                 0.0000                -0.8513
 Gamma2 Fr= 1--      1.6911                 1.6665                -0.5541
 Delta2 Fr= 1--      0.1323                 0.1260                 0.0767
 Raman1 Fr= 1--      20.887                 21.061                200.345
 ROA1   Fr= 1--     166.580                164.015                -50.736
 CID1   Fr= 1--       7.975                  7.788                 -0.253
 Raman2 Fr= 1--       8.951                  9.026                  0.295
 ROA2   Fr= 1--      39.528                 38.988                -13.911
 CID2   Fr= 1--       4.416                  4.320                -47.181
 Raman3 Fr= 1--      17.903                 18.052                  0.590
 ROA3   Fr= 1--     166.580                164.015                -50.736
 CID3   Fr= 1--       9.305                  9.086                -86.038
 RC180  Fr= 1--       0.714                  0.714                 -0.994
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.02    -0.03  -0.03   0.00     0.02   0.01   0.01
     2   6    -0.01   0.04   0.01     0.03  -0.01   0.01    -0.02   0.02  -0.01
     3   7    -0.05  -0.01  -0.09     0.16   0.08   0.18    -0.13  -0.06  -0.15
     4  45     0.03   0.01   0.00     0.01  -0.03   0.00     0.00  -0.00  -0.00
     5   7     0.08  -0.11   0.12    -0.09   0.08  -0.16     0.10  -0.11   0.15
     6   7    -0.05  -0.17  -0.20    -0.03  -0.05  -0.03     0.05   0.14   0.15
     7   6     0.03  -0.03  -0.01    -0.02  -0.01  -0.02    -0.02   0.01   0.01
     8   6     0.01   0.04   0.01     0.03   0.01  -0.02    -0.01  -0.02  -0.01
     9   7    -0.14   0.11   0.20     0.04  -0.01  -0.01     0.12  -0.08  -0.15
    10   7    -0.00   0.13  -0.11     0.02   0.13  -0.17     0.01   0.14  -0.15
    11   6     0.00   0.02  -0.02     0.04   0.00   0.00     0.02   0.01  -0.01
    12   6     0.02  -0.03  -0.01    -0.02  -0.03   0.01    -0.00  -0.03   0.01
    13   7    -0.03  -0.02   0.07    -0.18  -0.04   0.19    -0.14  -0.03   0.15
    14   1    -0.06  -0.10  -0.10     0.04   0.01   0.01     0.05   0.09   0.07
    15   1     0.04   0.06   0.03     0.03  -0.00  -0.04    -0.04  -0.04  -0.02
    16   1    -0.11   0.04   0.10    -0.04  -0.01   0.02     0.10  -0.05  -0.07
    17   1     0.07  -0.02  -0.03    -0.01  -0.02  -0.04    -0.07  -0.00   0.01
    18   1    -0.08   0.03   0.06    -0.09  -0.01   0.08    -0.11   0.00   0.07
    19   1     0.03   0.02  -0.04     0.07  -0.02  -0.01     0.06  -0.02  -0.02
    20   1     0.02   0.03  -0.03    -0.03   0.12  -0.10    -0.01   0.11  -0.07
    21   1     0.03  -0.04  -0.02     0.00  -0.06   0.04     0.04  -0.06   0.01
    22   1     0.04  -0.02   0.04    -0.04   0.11  -0.09     0.06  -0.09   0.07
    23   1    -0.00   0.06   0.02     0.03  -0.05   0.04    -0.01   0.06  -0.02
    24   1    -0.05  -0.08  -0.07     0.07   0.04   0.08    -0.09  -0.06  -0.07
    25   1     0.04   0.00   0.05    -0.04  -0.05  -0.01     0.03   0.06   0.01
    26   1     0.08  -0.16   0.19    -0.09   0.11  -0.25     0.10  -0.12   0.19
    27   1     0.01  -0.11   0.12     0.02   0.13  -0.16     0.01  -0.13   0.15
    28   1    -0.06  -0.01  -0.15     0.18   0.13   0.29    -0.14  -0.07  -0.19
    29   1    -0.00  -0.08  -0.09     0.05   0.14   0.17    -0.07  -0.12  -0.15
    30   1    -0.03  -0.03   0.12    -0.23  -0.00   0.30    -0.15  -0.03   0.20
    31   1    -0.04   0.05   0.08    -0.14   0.09   0.18    -0.12   0.06   0.15
    32   1    -0.03   0.16  -0.17     0.00   0.16  -0.27     0.00   0.15  -0.18
    33   1    -0.05   0.09  -0.10    -0.10   0.10  -0.17    -0.07   0.12  -0.15
    34   1    -0.09  -0.19  -0.32    -0.06  -0.06  -0.04     0.06   0.15   0.20
    35   1    -0.15  -0.07  -0.19    -0.02  -0.03  -0.02     0.11   0.08   0.15
    36   1    -0.20   0.10   0.32     0.07  -0.00  -0.01     0.13  -0.08  -0.18
    37   1    -0.17  -0.04   0.20     0.02  -0.02  -0.01     0.14  -0.00  -0.15
                     22                     23                     24
                      A                      A                      A
 Frequencies --    523.1981               558.3983               559.2010
 Red. masses --      1.5617                 1.8402                 1.8425
 Frc consts  --      0.2519                 0.3381                 0.3395
 IR Inten    --      3.2686                 3.4648                 3.3960
 RamAct Fr= 1--      0.0137                 0.4045                 0.3885
  Dep-P Fr= 1--      0.0631                 0.7472                 0.7399
  Dep-U Fr= 1--      0.1187                 0.8553                 0.8505
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0003                 0.0577                 0.0551
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0017                -1.1309                -1.0695
 Delta2 Fr= 1--     -0.0002                -0.1805                -0.1834
 Raman1 Fr= 1--       0.055                  1.618                  1.554
 ROA1   Fr= 1--      -0.172               -114.341               -108.541
 CID1   Fr= 1--      -3.140                -70.665                -69.843
 Raman2 Fr= 1--       0.003                  0.692                  0.661
 ROA2   Fr= 1--      -0.040                -25.698                -24.201
 CID2   Fr= 1--     -12.279                -37.138                -36.618
 Raman3 Fr= 1--       0.007                  1.384                  1.322
 ROA3   Fr= 1--      -0.172               -114.341               -108.541
 CID3   Fr= 1--     -26.456                -82.621                -82.117
 RC180  Fr= 1--      -0.763                  0.711                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05  -0.05    -0.00  -0.01   0.02     0.02   0.06  -0.07
     2   6    -0.01  -0.05  -0.05    -0.00   0.03   0.02    -0.00  -0.06  -0.07
     3   7     0.04  -0.02   0.03    -0.03   0.00  -0.02     0.07  -0.00   0.07
     4  45     0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.03  -0.00   0.00
     5   7     0.04   0.00   0.04    -0.02   0.01  -0.02     0.07  -0.03   0.08
     6   7    -0.02   0.03   0.03    -0.01   0.07   0.08     0.01  -0.02  -0.02
     7   6    -0.05  -0.02  -0.05    -0.06  -0.01  -0.07     0.02   0.00   0.01
     8   6     0.05   0.02  -0.05     0.06   0.03  -0.07    -0.01  -0.00   0.01
     9   7    -0.01   0.04   0.04    -0.03   0.06   0.08     0.01  -0.01  -0.01
    10   7    -0.03  -0.03   0.04     0.02   0.04  -0.05     0.03   0.05  -0.06
    11   6    -0.04   0.03  -0.05     0.03  -0.02   0.05     0.05  -0.03   0.05
    12   6     0.04  -0.03  -0.05    -0.03   0.04   0.05    -0.03   0.03   0.05
    13   7    -0.02  -0.04   0.03     0.04   0.03  -0.05     0.04   0.03  -0.06
    14   1     0.05  -0.13   0.07     0.05  -0.23   0.11    -0.01   0.05  -0.03
    15   1     0.19   0.00  -0.15     0.30   0.01  -0.23    -0.05   0.01   0.05
    16   1     0.04  -0.13   0.07     0.10  -0.21   0.11    -0.01   0.04  -0.02
    17   1    -0.15  -0.11  -0.15    -0.24  -0.18  -0.24     0.06   0.03   0.04
    18   1     0.09   0.11   0.07    -0.12  -0.11  -0.08    -0.13  -0.12  -0.08
    19   1    -0.10   0.16  -0.15     0.10  -0.17   0.16     0.13  -0.19   0.17
    20   1     0.10   0.10   0.07    -0.10  -0.13  -0.07    -0.10  -0.15  -0.09
    21   1     0.18  -0.08  -0.15    -0.19   0.09   0.16    -0.20   0.09   0.18
    22   1    -0.14   0.02   0.07     0.07  -0.02  -0.03    -0.22   0.07   0.11
    23   1    -0.09  -0.17  -0.14     0.04   0.09   0.07    -0.14  -0.25  -0.23
    24   1    -0.14   0.03   0.07     0.08  -0.00  -0.04    -0.23   0.02   0.11
    25   1    -0.02   0.19  -0.14     0.02  -0.09   0.08    -0.03   0.29  -0.23
    26   1     0.05  -0.04   0.22    -0.02   0.01  -0.09     0.09  -0.02   0.23
    27   1    -0.14   0.03   0.02     0.06   0.01  -0.02    -0.12  -0.05   0.07
    28   1     0.07   0.01   0.22    -0.03   0.01  -0.06     0.09  -0.01   0.23
    29   1    -0.14   0.03   0.02     0.01  -0.03  -0.02    -0.10   0.09   0.06
    30   1    -0.06  -0.03   0.22     0.04   0.05  -0.15     0.05   0.04  -0.19
    31   1     0.10   0.11   0.01    -0.01  -0.08  -0.05    -0.03  -0.11  -0.05
    32   1    -0.02  -0.07   0.23     0.03   0.05  -0.17     0.05   0.05  -0.17
    33   1     0.10   0.11   0.02    -0.10  -0.04  -0.04    -0.09  -0.02  -0.05
    34   1     0.01   0.07   0.22    -0.02   0.09   0.24     0.01  -0.02  -0.04
    35   1     0.05  -0.14   0.02     0.11  -0.09   0.07    -0.02  -0.00  -0.02
    36   1    -0.05   0.05   0.22    -0.03   0.09   0.23     0.01  -0.01  -0.06
    37   1     0.04  -0.14   0.02    -0.03  -0.13   0.07    -0.00   0.05  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    676.1695               676.4235               713.9514
 Red. masses --      1.2961                 1.2962                 1.2647
 Frc consts  --      0.3491                 0.3494                 0.3798
 IR Inten    --      0.1365                 0.1366                 0.0008
 RamAct Fr= 1--      0.0596                 0.0503                 2.2090
  Dep-P Fr= 1--      0.6951                 0.7458                 0.2283
  Dep-U Fr= 1--      0.8201                 0.8544                 0.3717
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0278
 Beta2  Fr= 1--      0.0081                 0.0072                 0.1369
 AlphaG Fr= 1--      0.0001                -0.0000                 0.3112
 Gamma2 Fr= 1--     -0.9679                -0.8874                -5.3733
 Delta2 Fr= 1--      0.1040                 0.0949                -0.0456
 Raman1 Fr= 1--       0.238                  0.201                  8.836
 ROA1   Fr= 1--     -89.590                -82.149               -517.293
 CID1   Fr= 1--    -375.882               -408.203                -58.545
 Raman2 Fr= 1--       0.098                  0.086                  1.642
 ROA2   Fr= 1--     -24.061                -22.056               -128.593
 CID2   Fr= 1--    -246.179               -256.545                -78.299
 Raman3 Fr= 1--       0.195                  0.172                  3.285
 ROA3   Fr= 1--     -89.590                -82.149               -517.293
 CID3   Fr= 1--    -458.313               -477.767               -157.488
 RC180  Fr= 1--       0.640                  0.709                 -0.257
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02    -0.00  -0.01  -0.00     0.00  -0.01  -0.01
     2   6    -0.00  -0.01  -0.01    -0.00  -0.01   0.02    -0.00  -0.00   0.01
     3   7    -0.03  -0.01   0.05    -0.03   0.01   0.05    -0.04   0.00   0.05
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.01   0.00     0.04  -0.02  -0.07     0.03  -0.01  -0.04
     6   7     0.00   0.04  -0.06     0.01  -0.02   0.03    -0.00   0.03  -0.04
     7   6     0.01   0.01   0.01    -0.01  -0.00   0.02     0.00   0.01  -0.01
     8   6     0.00   0.00   0.02    -0.01  -0.00   0.00     0.00  -0.00   0.01
     9   7    -0.00  -0.01   0.02    -0.03   0.04  -0.07     0.02  -0.03   0.04
    10   7    -0.02  -0.04  -0.07    -0.00   0.02   0.02     0.02   0.03   0.04
    11   6     0.01  -0.01  -0.01    -0.00   0.01  -0.02     0.00   0.01   0.01
    12   6     0.01  -0.01   0.01     0.01  -0.00  -0.02    -0.01   0.00  -0.01
    13   7     0.03   0.03   0.06     0.03   0.01   0.04    -0.03  -0.02  -0.05
    14   1    -0.01   0.03  -0.04    -0.01  -0.07   0.05     0.00   0.06  -0.04
    15   1    -0.06   0.00   0.05     0.08   0.02  -0.00    -0.08  -0.02   0.03
    16   1     0.05  -0.03   0.04    -0.02   0.04  -0.05     0.04  -0.05   0.04
    17   1    -0.06  -0.02   0.01     0.06   0.04   0.05    -0.08  -0.03  -0.03
    18   1     0.07   0.03   0.06    -0.01   0.01   0.01    -0.06  -0.03  -0.04
    19   1    -0.06   0.07  -0.03     0.00   0.02  -0.04     0.06  -0.07   0.03
    20   1    -0.02  -0.06  -0.06     0.01  -0.03  -0.01     0.02   0.06   0.04
    21   1    -0.08   0.05   0.03    -0.01   0.02  -0.03     0.07  -0.05  -0.02
    22   1     0.02  -0.03  -0.03     0.05  -0.03  -0.05     0.05  -0.04  -0.04
    23   1     0.00   0.04  -0.02     0.03   0.08   0.04     0.02   0.09   0.03
    24   1    -0.02   0.01   0.02    -0.07  -0.02   0.06    -0.06  -0.01   0.04
    25   1    -0.01   0.03  -0.05     0.01   0.09  -0.02     0.01   0.09  -0.03
    26   1     0.00   0.02  -0.02     0.07  -0.12   0.34     0.06  -0.06   0.25
    27   1     0.00  -0.04   0.01    -0.29   0.25  -0.13    -0.23   0.15  -0.09
    28   1    -0.08  -0.07  -0.25    -0.08  -0.05  -0.24    -0.08  -0.03  -0.25
    29   1     0.26   0.11   0.10     0.25   0.07   0.09     0.27   0.05   0.09
    30   1     0.11   0.01  -0.29     0.08  -0.01  -0.19    -0.08  -0.02   0.25
    31   1    -0.29  -0.11   0.11    -0.22  -0.05   0.08     0.24   0.12  -0.09
    32   1     0.01  -0.13   0.33    -0.01   0.04  -0.09     0.01   0.08  -0.25
    33   1     0.08   0.36  -0.13     0.01  -0.11   0.04    -0.09  -0.25   0.09
    34   1     0.06   0.11   0.31    -0.02  -0.05  -0.16     0.02   0.08   0.24
    35   1    -0.08  -0.34  -0.12     0.01   0.17   0.06    -0.02  -0.26  -0.09
    36   1     0.02  -0.02  -0.09    -0.12   0.05   0.34     0.07  -0.05  -0.24
    37   1    -0.05   0.08   0.03     0.29  -0.24  -0.13    -0.18   0.20   0.09
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.4186               750.5760               762.8613
 Red. masses --      1.3993                 1.4003                 1.4761
 Frc consts  --      0.4643                 0.4648                 0.5061
 IR Inten    --      5.4075                 5.3568                17.8416
 RamAct Fr= 1--      0.5737                 0.5394                 0.0009
  Dep-P Fr= 1--      0.7499                 0.7497                 0.6251
  Dep-U Fr= 1--      0.8571                 0.8569                 0.7693
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0820                 0.0770                 0.0001
 AlphaG Fr= 1--      0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--      4.0373                 3.8989                 0.0031
 Delta2 Fr= 1--     -0.1203                -0.1109                -0.0003
 Raman1 Fr= 1--       2.295                  2.158                  0.004
 ROA1   Fr= 1--     383.730                370.740                  0.288
 CID1   Fr= 1--     167.206                171.832                 77.674
 Raman2 Fr= 1--       0.983                  0.924                  0.001
 ROA2   Fr= 1--      97.858                 94.460                  0.078
 CID2   Fr= 1--      99.502                102.181                 54.360
 Raman3 Fr= 1--       1.967                  1.849                  0.003
 ROA3   Fr= 1--     383.730                370.740                  0.288
 CID3   Fr= 1--     195.088                200.522                100.967
 RC180  Fr= 1--       0.714                  0.714                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.01  -0.00  -0.02    -0.03  -0.01   0.02
     2   6     0.01  -0.01  -0.03    -0.00  -0.02  -0.01    -0.02   0.02   0.02
     3   7    -0.02  -0.01   0.04    -0.05  -0.01   0.05     0.03  -0.01  -0.06
     4  45     0.01  -0.01   0.00     0.01   0.01  -0.00    -0.00   0.00   0.02
     5   7    -0.04   0.04   0.07     0.00   0.01   0.01     0.03  -0.00  -0.06
     6   7     0.01   0.03  -0.04    -0.00  -0.05   0.06    -0.02   0.03  -0.06
     7   6     0.01  -0.00   0.03    -0.02  -0.01  -0.01     0.02  -0.02   0.02
     8   6    -0.02  -0.01   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.02
     9   7    -0.04   0.04  -0.07     0.01   0.01   0.01    -0.00   0.03  -0.05
    10   7     0.01   0.03   0.02    -0.01  -0.05  -0.06    -0.02  -0.02  -0.06
    11   6    -0.01   0.01   0.01     0.02  -0.01   0.03     0.03   0.01   0.02
    12   6    -0.01   0.01  -0.00    -0.01   0.02   0.03     0.00   0.03   0.02
    13   7    -0.02  -0.02  -0.03    -0.05  -0.01  -0.06    -0.02  -0.03  -0.06
    14   1    -0.04  -0.03  -0.01     0.01  -0.04   0.05    -0.02   0.05  -0.08
    15   1     0.01   0.04   0.10     0.06  -0.01  -0.08    -0.07   0.02   0.14
    16   1     0.01   0.03  -0.05    -0.06   0.02  -0.02    -0.02   0.05  -0.08
    17   1     0.02   0.05   0.12     0.05   0.00  -0.04     0.04   0.06   0.14
    18   1    -0.05  -0.02  -0.04     0.03  -0.03  -0.03    -0.03  -0.04  -0.07
    19   1     0.04  -0.05   0.02    -0.02  -0.03   0.12     0.01  -0.07   0.15
    20   1     0.01   0.05   0.04    -0.03   0.02  -0.03    -0.04  -0.04  -0.08
    21   1     0.05  -0.03  -0.02    -0.03  -0.02   0.12    -0.07   0.01   0.15
    22   1    -0.03  -0.02   0.05     0.03  -0.05  -0.02     0.06  -0.01  -0.08
    23   1    -0.04  -0.03  -0.11    -0.00   0.05  -0.05     0.06   0.05   0.15
    24   1     0.03   0.04   0.01    -0.04   0.00   0.05     0.05  -0.01  -0.08
    25   1    -0.03  -0.02  -0.09    -0.02   0.06  -0.08     0.03  -0.06   0.15
    26   1    -0.08   0.11  -0.32     0.01   0.03  -0.02     0.04  -0.11   0.22
    27   1     0.27  -0.26   0.14     0.02  -0.05   0.02    -0.18   0.18  -0.10
    28   1    -0.06  -0.06  -0.16    -0.10  -0.05  -0.27     0.08   0.09   0.21
    29   1     0.20   0.10   0.08     0.30   0.11   0.11    -0.22  -0.10  -0.10
    30   1    -0.05  -0.03   0.16    -0.12   0.00   0.28    -0.11   0.02   0.21
    31   1     0.15   0.06  -0.06     0.34   0.08  -0.13     0.23   0.06  -0.10
    32   1     0.02   0.05  -0.15     0.02  -0.13   0.29     0.03  -0.11   0.22
    33   1    -0.04  -0.15   0.05     0.04   0.36  -0.13     0.03   0.25  -0.10
    34   1     0.06   0.07   0.18    -0.03  -0.10  -0.28     0.07   0.08   0.21
    35   1    -0.08  -0.22  -0.09     0.07   0.31   0.12    -0.06  -0.22  -0.10
    36   1    -0.12   0.06   0.33     0.03   0.01  -0.01    -0.11   0.02   0.20
    37   1     0.31  -0.24  -0.14    -0.04   0.00   0.02     0.18  -0.14  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    865.5689               865.6170               867.4004
 Red. masses --      3.2256                 3.2250                 3.1378
 Frc consts  --      1.4239                 1.4237                 1.3910
 IR Inten    --     10.9253                10.9127                 0.0045
 RamAct Fr= 1--      1.0005                 1.0059                 9.5089
  Dep-P Fr= 1--      0.7466                 0.7487                 0.0561
  Dep-U Fr= 1--      0.8549                 0.8563                 0.1063
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.1851
 Beta2  Fr= 1--      0.1426                 0.1436                 0.1684
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.1179
 Gamma2 Fr= 1--      0.3975                 0.3437                -0.0840
 Delta2 Fr= 1--      0.6003                 0.5782                -2.6167
 Raman1 Fr= 1--       4.002                  4.024                 38.035
 ROA1   Fr= 1--      57.373                 51.496                -91.797
 CID1   Fr= 1--      14.336                 12.798                 -2.413
 Raman2 Fr= 1--       1.711                  1.723                  2.021
 ROA2   Fr= 1--       4.738                  3.623                 18.918
 CID2   Fr= 1--       2.770                  2.103                  9.361
 Raman3 Fr= 1--       3.421                  3.445                  4.042
 ROA3   Fr= 1--      57.373                 51.496                -91.797
 CID3   Fr= 1--      16.770                 14.946                -22.712
 RC180  Fr= 1--       0.710                  0.713                 -0.787
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.05     0.04   0.13  -0.12    -0.03  -0.11   0.09
     2   6    -0.02  -0.06  -0.06     0.00   0.15   0.11    -0.01  -0.11  -0.09
     3   7    -0.01   0.04  -0.01     0.04  -0.12   0.06    -0.03   0.09  -0.03
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7     0.05   0.06   0.04    -0.07  -0.09  -0.05     0.06   0.07   0.03
     6   7    -0.06   0.01   0.02    -0.12   0.02   0.06    -0.10   0.02   0.04
     7   6     0.08   0.02   0.08     0.13   0.01   0.10     0.11   0.02   0.09
     8   6     0.08   0.05  -0.06     0.12   0.05  -0.11     0.10   0.05  -0.09
     9   7    -0.06  -0.06  -0.04    -0.07  -0.07  -0.04    -0.07  -0.07  -0.03
    10   7    -0.13   0.03   0.06     0.03  -0.00  -0.01     0.09  -0.02  -0.03
    11   6     0.13  -0.09   0.13    -0.02  -0.00   0.00    -0.09   0.06  -0.09
    12   6     0.10  -0.13  -0.13    -0.01  -0.01   0.02    -0.07   0.08   0.08
    13   7    -0.05   0.13  -0.06     0.00   0.01  -0.01     0.04  -0.09   0.04
    14   1     0.03   0.03  -0.18     0.04   0.07  -0.36     0.04   0.07  -0.30
    15   1    -0.00   0.03  -0.05    -0.05   0.04  -0.03    -0.05   0.03  -0.03
    16   1     0.05  -0.02   0.25     0.06  -0.01   0.29     0.07  -0.03   0.28
    17   1    -0.01  -0.05   0.01     0.02  -0.04   0.07    -0.01  -0.05   0.04
    18   1     0.09  -0.01   0.41     0.01   0.01   0.02    -0.08   0.00  -0.29
    19   1     0.03   0.07   0.05    -0.02   0.02  -0.03    -0.00  -0.06  -0.03
    20   1     0.03  -0.08  -0.38     0.01   0.02   0.07    -0.01   0.07   0.27
    21   1    -0.05  -0.04  -0.07     0.03  -0.01  -0.02     0.05   0.02   0.04
    22   1     0.03  -0.04  -0.21    -0.02   0.07   0.33     0.04  -0.07  -0.28
    23   1     0.04   0.02   0.00    -0.06   0.01   0.06     0.05   0.02  -0.04
    24   1    -0.01  -0.03   0.12     0.06   0.06  -0.37    -0.06  -0.05   0.29
    25   1    -0.03  -0.01   0.05     0.05  -0.04  -0.04    -0.04   0.04   0.03
    26   1     0.04   0.04  -0.01    -0.06  -0.09   0.02     0.06   0.08   0.01
    27   1     0.10   0.08   0.04    -0.16  -0.19  -0.04     0.11   0.15   0.03
    28   1    -0.00   0.05   0.00     0.03  -0.11  -0.02    -0.02   0.09  -0.01
    29   1    -0.02   0.11  -0.01     0.10  -0.24   0.06    -0.05   0.18  -0.03
    30   1    -0.05   0.11   0.02     0.01  -0.00   0.00     0.04  -0.09   0.01
    31   1    -0.08   0.27  -0.06     0.02  -0.00  -0.01     0.07  -0.17   0.03
    32   1    -0.11   0.04  -0.02     0.01   0.00   0.01     0.09  -0.03  -0.01
    33   1    -0.28   0.05   0.05     0.03   0.02  -0.02     0.17  -0.05  -0.03
    34   1    -0.06   0.00  -0.01    -0.10   0.01  -0.02    -0.10   0.01   0.01
    35   1    -0.15   0.02   0.02    -0.23   0.07   0.06    -0.19   0.03   0.03
    36   1    -0.05  -0.05   0.02    -0.08  -0.06   0.02    -0.07  -0.07  -0.01
    37   1    -0.09  -0.14  -0.04    -0.15  -0.16  -0.04    -0.14  -0.13  -0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    870.7715               872.6946               872.8134
 Red. masses --      2.6872                 2.4828                 2.4837
 Frc consts  --      1.2005                 1.1141                 1.1148
 IR Inten    --      5.7806                 0.1139                 0.1372
 RamAct Fr= 1--      0.0233                 2.8168                 2.7834
  Dep-P Fr= 1--      0.5091                 0.7497                 0.7474
  Dep-U Fr= 1--      0.6747                 0.8569                 0.8554
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0026                 0.4023                 0.3968
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0122                -1.5629                -1.4421
 Delta2 Fr= 1--     -0.0051                -0.4665                -0.4184
 Raman1 Fr= 1--       0.093                 11.267                 11.134
 ROA1   Fr= 1--      -1.332               -164.972               -151.833
 CID1   Fr= 1--     -14.266                -14.642                -13.637
 Raman2 Fr= 1--       0.031                  4.828                  4.762
 ROA2   Fr= 1--      -0.252                -33.779                -31.265
 CID2   Fr= 1--      -8.003                 -6.997                 -6.565
 Raman3 Fr= 1--       0.063                  9.655                  9.524
 ROA3   Fr= 1--      -1.332               -164.972               -151.833
 CID3   Fr= 1--     -21.143                -17.086                -15.942
 RC180  Fr= 1--       0.349                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.03  -0.01  -0.00     0.12  -0.02   0.07
     2   6     0.07  -0.02   0.05    -0.03  -0.01  -0.03     0.11  -0.03   0.06
     3   7    -0.03   0.08  -0.06     0.01  -0.02   0.01    -0.07   0.13  -0.06
     4  45    -0.00   0.00   0.01    -0.00  -0.01   0.00     0.01  -0.00   0.00
     5   7    -0.06  -0.06  -0.06     0.04   0.03   0.01    -0.11  -0.08  -0.06
     6   7     0.10  -0.03  -0.07    -0.08   0.03   0.04    -0.09   0.04   0.03
     7   6    -0.03   0.08   0.06     0.02  -0.08  -0.05     0.04  -0.07  -0.04
     8   6    -0.02   0.09   0.06     0.01  -0.08  -0.03     0.03  -0.07  -0.05
     9   7    -0.07  -0.08  -0.07     0.05   0.09   0.04     0.04   0.07   0.04
    10   7     0.10  -0.02  -0.06     0.14  -0.00  -0.06    -0.04  -0.00   0.01
    11   6    -0.06  -0.06   0.05    -0.08  -0.08   0.06     0.03   0.00   0.00
    12   6    -0.05  -0.06   0.06    -0.07  -0.09   0.06     0.03   0.01  -0.02
    13   7    -0.03   0.09  -0.06    -0.02   0.14  -0.05     0.00  -0.01   0.01
    14   1    -0.00  -0.11   0.27    -0.01   0.08  -0.22     0.00   0.10  -0.28
    15   1     0.16   0.02  -0.15    -0.12   0.00   0.18    -0.15  -0.00   0.18
    16   1     0.07  -0.08   0.29    -0.07   0.08  -0.30    -0.04   0.06  -0.22
    17   1    -0.14  -0.08  -0.15     0.12   0.09   0.18     0.09   0.07   0.18
    18   1     0.08   0.04   0.25     0.11   0.07   0.37     0.00  -0.01  -0.02
    19   1    -0.09   0.11  -0.14    -0.10   0.17  -0.25     0.00  -0.01   0.06
    20   1     0.03   0.10   0.27     0.05   0.12   0.36    -0.01  -0.05  -0.13
    21   1     0.13  -0.08  -0.14     0.17  -0.07  -0.25    -0.06   0.03   0.05
    22   1    -0.07   0.05   0.23     0.04  -0.03  -0.15    -0.11   0.06   0.36
    23   1    -0.05  -0.13  -0.12     0.03   0.07   0.06    -0.10  -0.17  -0.26
    24   1    -0.09  -0.02   0.23     0.01  -0.01  -0.04    -0.14  -0.02   0.39
    25   1     0.00   0.13  -0.12     0.01  -0.02   0.07    -0.02   0.20  -0.26
    26   1    -0.03  -0.00   0.03     0.04   0.01   0.04    -0.07   0.04  -0.08
    27   1    -0.12   0.04  -0.08     0.02   0.03   0.01    -0.07   0.00  -0.07
    28   1    -0.02   0.01   0.03     0.01   0.03   0.01    -0.09   0.00  -0.09
    29   1    -0.13   0.01  -0.08     0.02   0.02   0.02    -0.06   0.03  -0.07
    30   1     0.02   0.02   0.02     0.07   0.05  -0.09    -0.02   0.02   0.01
    31   1     0.10   0.08  -0.09     0.03   0.06  -0.06    -0.02   0.01   0.01
    32   1     0.03   0.02   0.02     0.04   0.07  -0.09    -0.04  -0.01   0.04
    33   1     0.08   0.11  -0.09     0.05   0.04  -0.07    -0.03   0.02   0.01
    34   1     0.01  -0.03   0.01     0.02   0.06   0.05    -0.02   0.06   0.08
    35   1     0.02  -0.13  -0.09    -0.01   0.04   0.05    -0.03   0.02   0.04
    36   1     0.01  -0.04   0.02    -0.02   0.07   0.07    -0.04   0.04   0.06
    37   1     0.06  -0.13  -0.09     0.02   0.05   0.04    -0.01   0.04   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --    982.2636               983.2499               983.4669
 Red. masses --      2.1967                 2.2058                 2.2003
 Frc consts  --      1.2488                 1.2565                 1.2539
 IR Inten    --      3.4569                 3.4396                 3.7059
 RamAct Fr= 1--      0.0347                 3.7751                 3.8051
  Dep-P Fr= 1--      0.7475                 0.7497                 0.7500
  Dep-U Fr= 1--      0.8555                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0049                 0.5392                 0.5436
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.0215                 1.5285                 1.7524
 Delta2 Fr= 1--      0.0099                 1.0190                 1.0789
 Raman1 Fr= 1--       0.139                 15.100                 15.220
 ROA1   Fr= 1--       2.382                179.346                202.759
 CID1   Fr= 1--      17.172                 11.877                 13.321
 Raman2 Fr= 1--       0.059                  6.470                  6.523
 ROA2   Fr= 1--       0.437                 28.532                 33.427
 CID2   Fr= 1--       7.367                  4.410                  5.125
 Raman3 Fr= 1--       0.119                 12.940                 13.046
 ROA3   Fr= 1--       2.382                179.346                202.759
 CID3   Fr= 1--      20.072                 13.859                 15.542
 RC180  Fr= 1--       0.711                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.10   0.00     0.02   0.10   0.01    -0.04  -0.14   0.00
     2   6     0.02   0.11   0.00    -0.01  -0.10  -0.01     0.03   0.15  -0.00
     3   7     0.00  -0.05  -0.00    -0.00   0.05  -0.00     0.00  -0.07   0.00
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.02   0.04  -0.00    -0.02  -0.04  -0.00     0.03   0.06   0.00
     6   7    -0.06  -0.00   0.00    -0.08  -0.01   0.00    -0.00  -0.00   0.00
     7   6     0.13   0.04   0.00     0.15   0.05  -0.00     0.01   0.01  -0.01
     8   6    -0.12  -0.05   0.00    -0.15  -0.06   0.00    -0.00  -0.01   0.01
     9   7     0.05   0.03   0.00     0.06   0.04   0.00     0.00   0.00   0.00
    10   7    -0.05   0.02  -0.00     0.04  -0.02  -0.00     0.06  -0.03  -0.00
    11   6     0.09  -0.08   0.00    -0.07   0.06   0.01    -0.11   0.09  -0.00
    12   6    -0.09   0.08   0.00     0.06  -0.06  -0.01     0.11  -0.09   0.00
    13   7     0.03  -0.04  -0.00    -0.03   0.04  -0.00    -0.04   0.06  -0.00
    14   1    -0.15  -0.24   0.09    -0.17  -0.29   0.10    -0.00   0.01  -0.01
    15   1     0.10  -0.07  -0.16     0.11  -0.09  -0.20    -0.03  -0.02   0.00
    16   1     0.27  -0.11   0.09     0.32  -0.12   0.11     0.04  -0.03   0.02
    17   1    -0.04  -0.12  -0.16    -0.04  -0.14  -0.21    -0.04  -0.02  -0.03
    18   1     0.26  -0.00   0.08    -0.21  -0.00  -0.07    -0.29   0.01  -0.08
    19   1     0.01   0.11  -0.14     0.01  -0.10   0.13    -0.04  -0.12   0.17
    20   1    -0.04   0.26   0.09     0.03  -0.17  -0.05     0.04  -0.32  -0.10
    21   1     0.11   0.02  -0.15    -0.06  -0.04   0.10    -0.15  -0.02   0.19
    22   1    -0.12   0.20   0.08     0.08  -0.17  -0.05    -0.16   0.29   0.10
    23   1    -0.09  -0.05  -0.13     0.08   0.00   0.11    -0.13  -0.07  -0.20
    24   1    -0.18  -0.14   0.07     0.19   0.14  -0.08    -0.23  -0.19   0.09
    25   1    -0.07   0.07  -0.13     0.06  -0.10   0.14    -0.10   0.08  -0.18
    26   1     0.04   0.09  -0.01    -0.04  -0.13   0.02     0.04   0.11  -0.04
    27   1     0.05   0.14  -0.01    -0.04  -0.09   0.00     0.10   0.19  -0.01
    28   1    -0.00  -0.11  -0.01     0.00   0.06   0.02    -0.01  -0.17  -0.04
    29   1    -0.01  -0.14  -0.01    -0.01   0.16   0.01     0.01  -0.18  -0.01
    30   1     0.08  -0.10  -0.01    -0.03   0.04   0.02    -0.11   0.13   0.04
    31   1     0.10  -0.12  -0.01    -0.08   0.12   0.01    -0.09   0.14   0.01
    32   1    -0.10   0.06  -0.01     0.10  -0.07   0.02     0.09  -0.06   0.04
    33   1    -0.14   0.09  -0.01     0.08  -0.04   0.00     0.19  -0.09   0.01
    34   1    -0.13  -0.02  -0.02    -0.16  -0.03  -0.04    -0.06  -0.01  -0.00
    35   1    -0.17  -0.03  -0.01    -0.21  -0.01  -0.01     0.02  -0.00   0.00
    36   1     0.11   0.06  -0.01     0.13   0.07  -0.04    -0.04  -0.02  -0.00
    37   1     0.16   0.08  -0.01     0.18   0.12  -0.01     0.04   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    996.8252               997.2795              1009.6920
 Red. masses --      1.2460                 1.2452                 1.2697
 Frc consts  --      0.7295                 0.7297                 0.7626
 IR Inten    --      9.0990                 9.4826                 0.0002
 RamAct Fr= 1--      0.1619                 0.1431                 1.0611
  Dep-P Fr= 1--      0.7457                 0.7500                 0.0828
  Dep-U Fr= 1--      0.8543                 0.8571                 0.1529
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0194
 Beta2  Fr= 1--      0.0230                 0.0204                 0.0270
 AlphaG Fr= 1--     -0.0001                 0.0000                -0.2678
 Gamma2 Fr= 1--      1.6787                 1.6276                -1.5285
 Delta2 Fr= 1--      0.1991                 0.1461                 0.3695
 Raman1 Fr= 1--       0.648                  0.573                  4.244
 ROA1   Fr= 1--     167.530                160.930               -134.908
 CID1   Fr= 1--     258.716                281.089                -31.786
 Raman2 Fr= 1--       0.277                  0.245                  0.325
 ROA2   Fr= 1--      38.697                 37.895                -39.639
 CID2   Fr= 1--     139.901                154.440               -122.128
 Raman3 Fr= 1--       0.553                  0.491                  0.649
 ROA3   Fr= 1--     167.530                160.930               -134.908
 CID3   Fr= 1--     302.838                327.937               -207.825
 RC180  Fr= 1--       0.709                  0.714                 -0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.02     0.05  -0.02  -0.03     0.05  -0.02  -0.03
     2   6    -0.04   0.01   0.02    -0.06  -0.01   0.03    -0.05  -0.00   0.03
     3   7     0.01  -0.00  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.00
     4  45    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02   0.00   0.00
     6   7    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
     7   6     0.01  -0.07   0.04     0.01   0.02  -0.00    -0.00   0.05  -0.03
     8   6    -0.05   0.06  -0.03    -0.00  -0.01   0.01     0.03  -0.04   0.03
     9   7     0.00  -0.02   0.00    -0.00   0.00  -0.01    -0.00   0.02  -0.00
    10   7    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    11   6     0.00   0.03   0.01    -0.03  -0.06  -0.03     0.02   0.05   0.03
    12   6    -0.01  -0.02  -0.01     0.06   0.04   0.03    -0.04  -0.03  -0.03
    13   7     0.00   0.01   0.01    -0.01  -0.01   0.00     0.01   0.01   0.00
    14   1    -0.05  -0.20   0.15    -0.01   0.00  -0.01     0.03   0.14  -0.10
    15   1     0.27   0.11  -0.11    -0.03  -0.02   0.01    -0.18  -0.08   0.08
    16   1    -0.14   0.12  -0.14     0.06  -0.04   0.04     0.11  -0.09   0.10
    17   1     0.28   0.07   0.10    -0.06  -0.02  -0.03    -0.19  -0.05  -0.08
    18   1    -0.10  -0.02  -0.06     0.17   0.05   0.14    -0.14  -0.04  -0.10
    19   1     0.08  -0.07   0.05    -0.22   0.17  -0.10     0.16  -0.12   0.08
    20   1     0.01   0.03   0.03    -0.03  -0.19  -0.14     0.02   0.14   0.10
    21   1     0.06  -0.07  -0.03    -0.20   0.20   0.10     0.14  -0.15  -0.08
    22   1     0.07  -0.06  -0.08     0.12  -0.13  -0.12     0.10  -0.10  -0.10
    23   1     0.02   0.18   0.06     0.03   0.23   0.09     0.02   0.20   0.08
    24   1    -0.14  -0.06   0.11    -0.12  -0.04   0.10    -0.13  -0.05   0.10
    25   1     0.05   0.19  -0.08     0.06   0.21  -0.08     0.06   0.20  -0.08
    26   1     0.06   0.22  -0.02     0.05   0.23  -0.03     0.05   0.23  -0.04
    27   1    -0.08  -0.11   0.01    -0.07  -0.17   0.03    -0.06  -0.16   0.02
    28   1     0.03   0.19   0.02     0.04   0.26   0.02     0.04   0.23   0.04
    29   1    -0.01  -0.16  -0.02     0.03  -0.16  -0.01    -0.01  -0.17  -0.02
    30   1     0.07  -0.06  -0.01    -0.23   0.22   0.03     0.17  -0.16  -0.04
    31   1    -0.07   0.06   0.02     0.11  -0.18  -0.02    -0.11   0.13   0.02
    32   1     0.10  -0.08   0.01    -0.24   0.19  -0.03     0.18  -0.15   0.04
    33   1    -0.07   0.01   0.00     0.19  -0.10   0.03    -0.14   0.09  -0.02
    34   1     0.31   0.09   0.03    -0.08  -0.02  -0.00    -0.22  -0.07  -0.04
    35   1    -0.23  -0.02  -0.03     0.03  -0.02  -0.01     0.17   0.03   0.02
    36   1     0.31   0.12  -0.03    -0.03  -0.01   0.01    -0.21  -0.08   0.04
    37   1    -0.18  -0.13   0.02     0.06   0.01  -0.01     0.15   0.08  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1047.5131              1047.6047              1050.7942
 Red. masses --      3.1933                 3.1927                 3.1353
 Frc consts  --      2.0645                 2.0645                 2.0397
 IR Inten    --     68.9239                68.6282                 0.0195
 RamAct Fr= 1--      0.2825                 0.2809                 2.7652
  Dep-P Fr= 1--      0.7496                 0.7494                 0.4367
  Dep-U Fr= 1--      0.8568                 0.8567                 0.6079
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0179
 Beta2  Fr= 1--      0.0403                 0.0401                 0.2802
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0403
 Gamma2 Fr= 1--      1.0477                 1.0285                -1.8307
 Delta2 Fr= 1--      0.6400                 0.6406                 1.6361
 Raman1 Fr= 1--       1.130                  1.124                 11.061
 ROA1   Fr= 1--     121.063                119.233               -123.393
 CID1   Fr= 1--     107.132                106.101                -11.156
 Raman2 Fr= 1--       0.484                  0.481                  3.362
 ROA2   Fr= 1--      20.025                 19.558                -57.026
 CID2   Fr= 1--      41.363                 40.629                -16.961
 Raman3 Fr= 1--       0.968                  0.963                  6.724
 ROA3   Fr= 1--     121.063                119.233               -123.393
 CID3   Fr= 1--     125.030                123.845                -18.350
 RC180  Fr= 1--       0.714                  0.713                  0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.06     0.10   0.06   0.17     0.08   0.05   0.13
     2   6    -0.03   0.03  -0.06    -0.07   0.09  -0.17    -0.05   0.07  -0.13
     3   7     0.01  -0.04   0.01     0.03  -0.11   0.01     0.03  -0.08   0.01
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.03  -0.04  -0.00    -0.07  -0.09  -0.01    -0.06  -0.07  -0.01
     6   7    -0.12   0.02   0.01    -0.02   0.00   0.00     0.08  -0.01  -0.01
     7   6     0.11  -0.06  -0.18     0.01  -0.01  -0.03    -0.07   0.04   0.12
     8   6     0.05   0.11   0.18     0.01   0.02   0.03    -0.03  -0.08  -0.12
     9   7    -0.09  -0.09  -0.01    -0.01  -0.02  -0.00     0.06   0.06   0.01
    10   7    -0.08   0.02   0.01     0.09  -0.03  -0.01    -0.09   0.02   0.01
    11   6     0.08   0.01  -0.11    -0.09  -0.01   0.14     0.09   0.01  -0.13
    12   6     0.00  -0.07   0.11    -0.01   0.10  -0.14     0.00  -0.09   0.13
    13   7    -0.03   0.07  -0.01     0.04  -0.09   0.01    -0.03   0.08  -0.01
    14   1     0.11   0.10   0.35     0.02   0.03   0.06    -0.08  -0.08  -0.26
    15   1     0.13   0.15   0.22     0.01   0.02   0.02    -0.09  -0.10  -0.15
    16   1     0.15  -0.02  -0.35     0.01   0.00  -0.05    -0.11   0.01   0.26
    17   1     0.19  -0.04  -0.22     0.04  -0.01  -0.04    -0.14   0.03   0.15
    18   1     0.10  -0.03  -0.22    -0.10   0.03   0.27     0.11  -0.03  -0.26
    19   1     0.11  -0.02  -0.13    -0.16   0.03   0.18     0.14  -0.03  -0.15
    20   1     0.03  -0.07   0.21    -0.05   0.12  -0.28     0.05  -0.11   0.27
    21   1     0.04  -0.12   0.14    -0.04   0.14  -0.17     0.04  -0.13   0.15
    22   1    -0.01   0.04  -0.12    -0.04   0.14  -0.33    -0.03   0.11  -0.27
    23   1    -0.03   0.08  -0.09    -0.06   0.17  -0.20    -0.05   0.14  -0.15
    24   1     0.04   0.05   0.13     0.08   0.11   0.33     0.07   0.09   0.27
    25   1     0.04   0.04   0.07     0.12   0.13   0.20     0.10   0.11   0.15
    26   1    -0.03  -0.03  -0.02    -0.06  -0.03  -0.04    -0.05  -0.02  -0.02
    27   1     0.01   0.07  -0.02    -0.00   0.15  -0.05    -0.01   0.09  -0.03
    28   1     0.02  -0.00   0.02     0.04  -0.06   0.04     0.03  -0.04   0.02
    29   1     0.03   0.04   0.02     0.06   0.15   0.05     0.04   0.07   0.03
    30   1     0.01   0.03  -0.03     0.01  -0.07   0.04     0.00   0.05  -0.02
    31   1     0.08  -0.04  -0.03    -0.12   0.07   0.04     0.08  -0.03  -0.03
    32   1    -0.06  -0.00   0.03     0.05   0.02  -0.04    -0.05  -0.01   0.02
    33   1     0.07  -0.08   0.03    -0.07   0.10  -0.04     0.04  -0.07   0.03
    34   1    -0.06   0.04   0.05     0.01   0.01   0.01     0.04  -0.03  -0.02
    35   1     0.14   0.08   0.05     0.01   0.01   0.01    -0.06  -0.05  -0.03
    36   1    -0.02  -0.07  -0.05    -0.02  -0.02  -0.01     0.01   0.05   0.02
    37   1     0.16   0.02  -0.05     0.03   0.01  -0.01    -0.08  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1108.4617              1117.7034              1118.3114
 Red. masses --      1.0212                 1.0268                 1.0266
 Frc consts  --      0.7393                 0.7557                 0.7565
 IR Inten    --      0.9199                 0.0040                 0.0027
 RamAct Fr= 1--      0.0055                 0.7318                 0.6516
  Dep-P Fr= 1--      0.6468                 0.7447                 0.7479
  Dep-U Fr= 1--      0.7855                 0.8537                 0.8558
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0007                 0.1041                 0.0929
 AlphaG Fr= 1--     -0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--     -0.0046                -1.3629                -1.3439
 Delta2 Fr= 1--     -0.0033                -0.5511                -0.5327
 Raman1 Fr= 1--       0.022                  2.927                  2.606
 ROA1   Fr= 1--      -0.542               -148.470               -146.064
 CID1   Fr= 1--     -24.485                -50.724                -56.042
 Raman2 Fr= 1--       0.009                  1.249                  1.115
 ROA2   Fr= 1--      -0.083                -28.300                -27.992
 CID2   Fr= 1--      -9.533                -22.652                -25.101
 Raman3 Fr= 1--       0.017                  2.499                  2.230
 ROA3   Fr= 1--      -0.542               -148.470               -146.064
 CID3   Fr= 1--     -31.170                -59.419                -65.488
 RC180  Fr= 1--       0.571                  0.707                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.01
     2   6     0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     3   7    -0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.00  -0.01
     4  45     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.01   0.00     0.01   0.01   0.01    -0.00  -0.01  -0.01
     6   7    -0.01  -0.00   0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.01
     7   6    -0.00   0.00  -0.00     0.01   0.00   0.01     0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01
    10   7    -0.01   0.01   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    13   7     0.01  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
    14   1     0.05   0.09   0.09    -0.07  -0.10  -0.09    -0.03  -0.04  -0.05
    15   1    -0.11  -0.13  -0.18     0.14   0.15   0.20     0.07   0.08   0.11
    16   1    -0.10   0.04   0.09     0.11  -0.03  -0.09     0.07  -0.03  -0.05
    17   1     0.16  -0.04  -0.18    -0.20   0.04   0.20    -0.11   0.02   0.10
    18   1    -0.10   0.00   0.09    -0.02  -0.00   0.00    -0.14   0.01   0.11
    19   1     0.15  -0.03  -0.17     0.01  -0.00  -0.00     0.23  -0.05  -0.24
    20   1     0.02  -0.10   0.09     0.00   0.01   0.00     0.03  -0.14   0.11
    21   1    -0.04   0.15  -0.17    -0.00   0.01  -0.02    -0.08   0.22  -0.24
    22   1     0.05  -0.09   0.09     0.05  -0.10   0.09    -0.04   0.07  -0.05
    23   1    -0.06   0.15  -0.17    -0.06   0.19  -0.20     0.04  -0.11   0.11
    24   1     0.08   0.06   0.09     0.10   0.08   0.09    -0.04  -0.04  -0.05
    25   1    -0.11  -0.11  -0.17    -0.13  -0.16  -0.20     0.08   0.09   0.12
    26   1    -0.08  -0.26   0.01    -0.10  -0.32  -0.00     0.05   0.18   0.00
    27   1     0.09   0.09   0.00     0.11   0.17  -0.00    -0.08  -0.09  -0.00
    28   1     0.02   0.27   0.01     0.03   0.32  -0.00    -0.02  -0.20  -0.00
    29   1     0.05  -0.12   0.00     0.05  -0.19  -0.00    -0.01   0.12   0.01
    30   1    -0.18   0.20   0.01    -0.01   0.01  -0.00    -0.26   0.28  -0.00
    31   1     0.03  -0.12   0.00    -0.01  -0.01   0.00     0.10  -0.21  -0.00
    32   1     0.22  -0.15   0.01     0.02  -0.01   0.00     0.31  -0.22  -0.00
    33   1    -0.13   0.01   0.00    -0.01   0.02  -0.00    -0.22   0.07  -0.00
    34   1     0.28   0.06   0.01    -0.31  -0.07   0.00    -0.17  -0.04  -0.00
    35   1    -0.13   0.04   0.00     0.19  -0.02   0.00     0.11   0.01   0.01
    36   1    -0.26  -0.12   0.01     0.30   0.13   0.00     0.15   0.07   0.01
    37   1     0.08   0.11  -0.00    -0.16  -0.13   0.01    -0.07  -0.08  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1171.7747              1172.1504              1193.0513
 Red. masses --      1.0716                 1.0712                 1.0616
 Frc consts  --      0.8669                 0.8671                 0.8903
 IR Inten    --     69.5740                69.4777                 0.0021
 RamAct Fr= 1--     11.2291                11.1375                 9.0380
  Dep-P Fr= 1--      0.7500                 0.7499                 0.1796
  Dep-U Fr= 1--      0.8571                 0.8571                 0.3045
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1295
 Beta2  Fr= 1--      1.6041                 1.5910                 0.4587
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.1234
 Gamma2 Fr= 1--      1.2629                 1.1924                 1.4487
 Delta2 Fr= 1--      6.6288                 6.5671                -5.3530
 Raman1 Fr= 1--      44.916                 44.550                 36.152
 ROA1   Fr= 1--     333.358                324.621                -32.218
 CID1   Fr= 1--       7.422                  7.287                 -0.891
 Raman2 Fr= 1--      19.250                 19.092                  5.504
 ROA2   Fr= 1--     -22.721                -23.919                 77.593
 CID2   Fr= 1--      -1.180                 -1.253                 14.098
 Raman3 Fr= 1--      38.500                 38.183                 11.008
 ROA3   Fr= 1--     333.358                324.621                -32.218
 CID3   Fr= 1--       8.659                  8.502                 -2.927
 RC180  Fr= 1--       0.714                  0.714                 -0.391
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   7    -0.00  -0.01  -0.00    -0.00  -0.04  -0.02     0.00  -0.02  -0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00  -0.01   0.01    -0.01  -0.03   0.02    -0.01  -0.02   0.01
     6   7    -0.03  -0.01  -0.02    -0.00  -0.00  -0.00     0.02  -0.00   0.01
     7   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.01
     9   7    -0.03  -0.01   0.02    -0.01  -0.00   0.00     0.02   0.02  -0.01
    10   7    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.02   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    12   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    13   7    -0.01   0.02   0.01     0.02  -0.02  -0.01    -0.01   0.02   0.01
    14   1    -0.13  -0.18  -0.24    -0.03  -0.04  -0.05     0.10   0.15   0.17
    15   1     0.02   0.02   0.02    -0.00   0.00   0.00    -0.02  -0.01  -0.02
    16   1    -0.22   0.07   0.24    -0.04   0.01   0.05     0.17  -0.06  -0.17
    17   1     0.02   0.00  -0.01     0.01   0.00  -0.00    -0.02   0.00   0.02
    18   1    -0.16   0.01   0.17     0.17  -0.02  -0.18    -0.18   0.01   0.17
    19   1     0.01  -0.00  -0.01    -0.02   0.01   0.01     0.02  -0.01  -0.02
    20   1    -0.04   0.15  -0.16     0.04  -0.17   0.18    -0.04   0.18  -0.17
    21   1     0.01  -0.02   0.01    -0.01   0.01  -0.01     0.01  -0.02   0.02
    22   1     0.03  -0.07   0.07     0.09  -0.20   0.24     0.08  -0.16   0.17
    23   1     0.00   0.01  -0.00    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    24   1    -0.06  -0.05  -0.08    -0.16  -0.15  -0.23    -0.13  -0.12  -0.17
    25   1     0.00   0.00   0.00     0.01   0.02   0.01     0.01   0.02   0.02
    26   1     0.02   0.08  -0.03     0.04   0.20  -0.10     0.03   0.15  -0.06
    27   1     0.03   0.15  -0.02     0.08   0.35  -0.04     0.07   0.26  -0.03
    28   1     0.01   0.06   0.03     0.04   0.21   0.11     0.03   0.15   0.06
    29   1     0.01   0.10   0.01     0.07   0.38   0.04     0.03   0.27   0.03
    30   1     0.10  -0.09  -0.07    -0.13   0.11   0.08     0.11  -0.10  -0.06
    31   1     0.17  -0.17  -0.03    -0.23   0.21   0.04     0.19  -0.19  -0.03
    32   1     0.12  -0.10   0.08    -0.12   0.10  -0.08     0.11  -0.10   0.06
    33   1     0.22  -0.18   0.03    -0.21   0.17  -0.03     0.22  -0.17   0.03
    34   1     0.20   0.07   0.11     0.03   0.01   0.02    -0.14  -0.05  -0.06
    35   1     0.37   0.12   0.04     0.05   0.01   0.00    -0.27  -0.07  -0.03
    36   1     0.20   0.07  -0.11     0.05   0.02  -0.02    -0.14  -0.05   0.06
    37   1     0.35   0.13  -0.04     0.10   0.03  -0.01    -0.25  -0.11   0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1225.7487              1226.1536              1247.0729
 Red. masses --      1.2483                 1.2468                 1.2371
 Frc consts  --      1.1050                 1.1045                 1.1336
 IR Inten    --      0.0051                 0.0031                38.5500
 RamAct Fr= 1--      8.9794                 9.1151                 0.0022
  Dep-P Fr= 1--      0.7497                 0.7500                 0.5064
  Dep-U Fr= 1--      0.8570                 0.8571                 0.6724
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      1.2825                 1.3022                 0.0002
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -5.0800                -5.1345                -0.0026
 Delta2 Fr= 1--     -0.9478                -0.9378                -0.0005
 Raman1 Fr= 1--      35.918                 36.460                  0.009
 ROA1   Fr= 1--    -518.009               -522.928                 -0.269
 CID1   Fr= 1--     -14.422                -14.342                -30.643
 Raman2 Fr= 1--      15.390                 15.626                  0.003
 ROA2   Fr= 1--    -114.338               -115.726                 -0.059
 CID2   Fr= 1--      -7.429                 -7.406                -19.949
 Raman3 Fr= 1--      30.781                 31.252                  0.006
 ROA3   Fr= 1--    -518.009               -522.928                 -0.269
 CID3   Fr= 1--     -16.829                -16.733                -45.575
 RC180  Fr= 1--       0.714                  0.714                  0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00  -0.03   0.02    -0.00  -0.03   0.01
     2   6    -0.01  -0.02  -0.01     0.00   0.04   0.02     0.01   0.03   0.01
     3   7     0.01   0.03   0.02    -0.00  -0.05  -0.03    -0.01  -0.04  -0.02
     4  45     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01  -0.03   0.02     0.01   0.05  -0.03     0.01   0.04  -0.02
     6   7    -0.05  -0.01  -0.04    -0.00   0.00   0.00    -0.04  -0.01  -0.02
     7   6     0.04   0.01   0.02     0.00  -0.01   0.00     0.03   0.01   0.01
     8   6    -0.04  -0.01   0.02    -0.00   0.01   0.00    -0.03  -0.01   0.01
     9   7     0.05   0.02  -0.04     0.00  -0.00  -0.00     0.04   0.01  -0.02
    10   7     0.02  -0.01   0.02     0.04  -0.03   0.03    -0.03   0.03  -0.02
    11   6    -0.02   0.01  -0.01    -0.02   0.03  -0.02     0.02  -0.02   0.01
    12   6     0.02  -0.01  -0.01     0.03  -0.03  -0.02    -0.02   0.02   0.01
    13   7    -0.02   0.02   0.02    -0.03   0.04   0.03     0.03  -0.03  -0.02
    14   1     0.02   0.04   0.16    -0.02  -0.03  -0.02     0.00   0.02   0.09
    15   1     0.00  -0.02  -0.01     0.01   0.01  -0.00     0.03   0.01   0.02
    16   1    -0.04   0.02   0.16    -0.03   0.01   0.02    -0.01   0.01   0.09
    17   1     0.01  -0.02  -0.01     0.01  -0.00   0.00    -0.03  -0.01   0.02
    18   1     0.05   0.00  -0.09     0.02   0.00  -0.13    -0.02  -0.01   0.09
    19   1    -0.02  -0.00   0.00    -0.01  -0.01   0.01    -0.03   0.02   0.02
    20   1     0.00  -0.01  -0.07    -0.01   0.06  -0.15    -0.00  -0.02   0.09
    21   1    -0.01  -0.00   0.01    -0.01  -0.02   0.01     0.02  -0.02   0.02
    22   1     0.00  -0.01  -0.07     0.03  -0.05   0.15     0.01  -0.01   0.09
    23   1     0.01   0.00   0.01    -0.02   0.01  -0.00    -0.00  -0.03   0.02
    24   1    -0.04  -0.03  -0.10     0.02   0.01   0.13     0.02   0.01   0.09
    25   1     0.01   0.01   0.00    -0.01   0.00  -0.01     0.01   0.03   0.02
    26   1     0.01   0.10  -0.07    -0.03  -0.18   0.14    -0.02  -0.12   0.07
    27   1     0.09   0.26  -0.02    -0.10  -0.38   0.03    -0.09  -0.35   0.04
    28   1    -0.03  -0.11  -0.08     0.04   0.17   0.13     0.02   0.11   0.07
    29   1    -0.04  -0.22  -0.02     0.04   0.42   0.03     0.05   0.36   0.04
    30   1     0.09  -0.07  -0.08     0.14  -0.11  -0.13    -0.09   0.08   0.07
    31   1     0.15  -0.14  -0.02     0.29  -0.32  -0.03    -0.26   0.25   0.04
    32   1    -0.07   0.07  -0.07    -0.13   0.13  -0.14     0.09  -0.08   0.07
    33   1    -0.22   0.14  -0.02    -0.32   0.24  -0.03     0.28  -0.22   0.04
    34   1     0.19   0.08   0.15    -0.01  -0.00  -0.01     0.12   0.04   0.08
    35   1     0.46   0.11   0.04     0.04  -0.01   0.00     0.35   0.10   0.04
    36   1    -0.20  -0.06   0.15    -0.01  -0.01   0.01    -0.11  -0.04   0.08
    37   1    -0.43  -0.19   0.04     0.01   0.02  -0.00    -0.34  -0.14   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1291.1171              1291.1475              1296.0330
 Red. masses --      1.4120                 1.4127                 1.3762
 Frc consts  --      1.3868                 1.3875                 1.3620
 IR Inten    --      0.5905                 0.6152                 0.0035
 RamAct Fr= 1--      1.6517                 1.6072                 4.5877
  Dep-P Fr= 1--      0.7424                 0.7484                 0.0486
  Dep-U Fr= 1--      0.8522                 0.8561                 0.0926
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0909
 Beta2  Fr= 1--      0.2346                 0.2293                 0.0708
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0584
 Gamma2 Fr= 1--      1.8983                 1.8557                 1.4135
 Delta2 Fr= 1--      0.3084                 0.2905                 1.3355
 Raman1 Fr= 1--       6.607                  6.429                 18.351
 ROA1   Fr= 1--     192.102                187.448                178.428
 CID1   Fr= 1--      29.077                 29.158                  9.723
 Raman2 Fr= 1--       2.815                  2.752                  0.850
 ROA2   Fr= 1--      43.091                 42.214                 23.239
 CID2   Fr= 1--      15.307                 15.341                 27.338
 Raman3 Fr= 1--       5.630                  5.503                  1.700
 ROA3   Fr= 1--     192.102                187.448                178.428
 CID3   Fr= 1--      34.121                 34.060                104.950
 RC180  Fr= 1--       0.704                  0.712                 -0.815
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.02  -0.03    -0.07   0.02   0.03    -0.06   0.02   0.03
     2   6    -0.06   0.01   0.03     0.07  -0.01  -0.03     0.06  -0.01  -0.03
     3   7     0.02   0.01  -0.02    -0.02  -0.01   0.01    -0.02  -0.01   0.01
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01   0.02   0.01     0.02  -0.02  -0.02     0.02  -0.01  -0.02
     6   7     0.00  -0.01   0.01    -0.01  -0.03   0.02     0.00   0.02  -0.01
     7   6    -0.01   0.03  -0.02    -0.02   0.09  -0.04     0.02  -0.06   0.03
     8   6     0.02  -0.03   0.01     0.03  -0.08   0.04    -0.02   0.05  -0.03
     9   7    -0.01   0.01  -0.00    -0.03   0.02  -0.02     0.01  -0.01   0.01
    10   7     0.00   0.03   0.02     0.00   0.00   0.01     0.00   0.02   0.02
    11   6    -0.05  -0.07  -0.04    -0.01  -0.01  -0.01    -0.04  -0.05  -0.03
    12   6     0.06   0.06   0.04     0.01   0.01   0.00     0.05   0.05   0.03
    13   7    -0.03  -0.01  -0.02    -0.01   0.00   0.00    -0.02  -0.01  -0.02
    14   1     0.01   0.03  -0.05     0.04   0.08  -0.07    -0.01  -0.02   0.06
    15   1    -0.01   0.02   0.12    -0.06   0.02   0.29     0.03  -0.03  -0.22
    16   1     0.03  -0.01   0.01     0.09  -0.04   0.08    -0.03   0.01  -0.06
    17   1    -0.03  -0.02  -0.11    -0.02  -0.05  -0.29     0.01   0.04   0.22
    18   1     0.09   0.01   0.08     0.01  -0.00  -0.01     0.04   0.00   0.07
    19   1    -0.00   0.06  -0.29    -0.02   0.02  -0.04     0.01   0.05  -0.25
    20   1     0.01  -0.09  -0.07    -0.00  -0.02  -0.03     0.00  -0.04  -0.07
    21   1    -0.06   0.00   0.28    -0.00  -0.01   0.04    -0.05  -0.01   0.25
    22   1     0.03  -0.06  -0.04    -0.04   0.06   0.07    -0.02   0.03   0.07
    23   1     0.03   0.04   0.20    -0.04  -0.02  -0.23    -0.04  -0.02  -0.23
    24   1    -0.06  -0.04   0.07     0.06   0.04  -0.05     0.03   0.02  -0.06
    25   1    -0.03   0.03  -0.20     0.02  -0.05   0.22     0.03  -0.03   0.23
    26   1    -0.10  -0.25  -0.02     0.11   0.26   0.04     0.10   0.24   0.02
    27   1     0.10   0.11   0.01    -0.13  -0.14  -0.01    -0.11  -0.14  -0.01
    28   1     0.01  -0.25   0.03    -0.00   0.29  -0.03     0.00   0.26  -0.02
    29   1    -0.06   0.17  -0.01     0.06  -0.15   0.01     0.05  -0.17   0.01
    30   1     0.22  -0.29   0.04     0.04  -0.05  -0.00     0.17  -0.22   0.02
    31   1    -0.07   0.23  -0.01    -0.00   0.01  -0.00    -0.07   0.18  -0.01
    32   1     0.32  -0.18  -0.04     0.04  -0.02  -0.01     0.24  -0.14  -0.02
    33   1    -0.22   0.04   0.01    -0.06   0.01   0.00    -0.19   0.04   0.01
    34   1     0.14   0.01  -0.02     0.37   0.05  -0.04    -0.24  -0.03   0.02
    35   1    -0.11   0.03   0.01    -0.23   0.05   0.01     0.17  -0.02  -0.01
    36   1     0.13   0.08   0.01     0.31   0.19   0.04    -0.20  -0.12  -0.02
    37   1    -0.04  -0.05  -0.00    -0.15  -0.19  -0.01     0.12   0.12   0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.8475              1332.0743              1341.4251
 Red. masses --      1.1854                 1.1859                 1.1699
 Frc consts  --      1.2389                 1.2398                 1.2403
 IR Inten    --     25.1226                25.3078                 0.0075
 RamAct Fr= 1--      5.5783                 5.4773                 2.5280
  Dep-P Fr= 1--      0.7500                 0.7500                 0.1453
  Dep-U Fr= 1--      0.8571                 0.8571                 0.2538
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0395
 Beta2  Fr= 1--      0.7969                 0.7825                 0.1069
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0796
 Gamma2 Fr= 1--     -7.5091                -7.6475                 3.3311
 Delta2 Fr= 1--     -8.0360                -8.1231                 1.6763
 Raman1 Fr= 1--      22.313                 21.909                 10.112
 ROA1   Fr= 1--    -978.025               -994.093                373.429
 CID1   Fr= 1--     -43.832                -45.373                 36.929
 Raman2 Fr= 1--       9.563                  9.390                  1.283
 ROA2   Fr= 1--    -115.931               -118.554                 66.537
 CID2   Fr= 1--     -12.123                -12.626                 51.861
 Raman3 Fr= 1--      19.126                 18.779                  2.566
 ROA3   Fr= 1--    -978.025               -994.093                373.429
 CID3   Fr= 1--     -51.137                -52.935                145.531
 RC180  Fr= 1--       0.714                  0.714                 -0.492
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01    -0.00   0.01  -0.04    -0.01   0.01  -0.03
     2   6    -0.00   0.00   0.01     0.01   0.01   0.04     0.01   0.01   0.03
     3   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.02    -0.02  -0.03  -0.01
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.01  -0.01   0.00     0.02  -0.05   0.02     0.01  -0.03   0.01
     6   7    -0.03  -0.04  -0.02    -0.01  -0.01  -0.01     0.02   0.03   0.01
     7   6     0.00   0.01   0.04     0.01  -0.00   0.01    -0.00  -0.01  -0.03
     8   6     0.01  -0.00  -0.04     0.00  -0.01  -0.01    -0.01   0.01   0.03
     9   7    -0.04   0.01   0.02    -0.02   0.01   0.00     0.03  -0.01  -0.01
    10   7    -0.01   0.04  -0.01     0.01  -0.03   0.01    -0.01   0.03  -0.01
    11   6    -0.00  -0.01   0.03    -0.01   0.01  -0.03    -0.00  -0.01   0.03
    12   6     0.01  -0.00  -0.03    -0.01  -0.00   0.03     0.01   0.00  -0.03
    13   7    -0.03   0.01   0.01     0.04  -0.00  -0.01    -0.04   0.01   0.01
    14   1     0.16   0.23   0.20     0.07   0.09   0.10    -0.12  -0.16  -0.15
    15   1    -0.10  -0.14  -0.23    -0.06  -0.07  -0.08     0.10   0.11   0.16
    16   1     0.29  -0.09  -0.24     0.06  -0.02  -0.03    -0.19   0.05   0.15
    17   1    -0.19   0.05   0.24    -0.02   0.01   0.06     0.15  -0.03  -0.16
    18   1     0.25  -0.03  -0.20    -0.18   0.01   0.12     0.20  -0.02  -0.15
    19   1    -0.17   0.03   0.19     0.10  -0.01  -0.16    -0.15   0.03   0.16
    20   1     0.04  -0.20   0.14    -0.05   0.22  -0.19     0.05  -0.20   0.15
    21   1    -0.02   0.11  -0.17     0.05  -0.15   0.18    -0.05   0.15  -0.16
    22   1    -0.02   0.03  -0.01    -0.13   0.28  -0.24    -0.08   0.18  -0.15
    23   1     0.01  -0.00   0.04     0.08  -0.18   0.25     0.05  -0.15   0.16
    24   1     0.06   0.07   0.09     0.22   0.20   0.22     0.14   0.13   0.15
    25   1    -0.05  -0.06  -0.07    -0.13  -0.13  -0.24    -0.10  -0.11  -0.16
    26   1     0.03   0.06  -0.01     0.08   0.19  -0.07     0.07   0.18  -0.04
    27   1    -0.02   0.02  -0.01    -0.00   0.16  -0.02     0.01   0.11  -0.02
    28   1     0.00   0.02   0.02     0.00   0.21   0.06     0.00   0.20   0.04
    29   1    -0.00   0.05   0.00     0.07   0.14   0.02     0.04   0.10   0.02
    30   1     0.09  -0.11  -0.05    -0.10   0.13   0.04     0.13  -0.16  -0.04
    31   1     0.10  -0.07  -0.01    -0.09   0.03   0.02     0.10  -0.06  -0.02
    32   1     0.15  -0.09   0.05    -0.10   0.06  -0.05     0.17  -0.10   0.04
    33   1     0.05  -0.10   0.02    -0.08   0.08  -0.01     0.07  -0.09   0.02
    34   1     0.21   0.03   0.06     0.04   0.01   0.03    -0.20  -0.03  -0.04
    35   1     0.12   0.09   0.02     0.06   0.01   0.00    -0.10  -0.05  -0.02
    36   1     0.17   0.09  -0.07     0.07   0.05  -0.01    -0.17  -0.09   0.04
    37   1     0.15   0.02  -0.02     0.04  -0.02  -0.01    -0.11  -0.02   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1346.2580              1348.4601              1348.5031
 Red. masses --      1.1927                 1.1917                 1.1913
 Frc consts  --      1.2736                 1.2767                 1.2764
 IR Inten    --     11.9941                 4.1926                 4.3316
 RamAct Fr= 1--      0.0255                11.4364                11.3580
  Dep-P Fr= 1--      0.6824                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8112                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0034                 1.6337                 1.6226
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0192                11.5264                12.2530
 Delta2 Fr= 1--      0.0065                 2.6969                 3.0900
 Raman1 Fr= 1--       0.102                 45.746                 45.432
 ROA1   Fr= 1--       2.056               1192.832               1275.165
 CID1   Fr= 1--      20.153                 26.075                 28.068
 Raman2 Fr= 1--       0.041                 19.605                 19.471
 ROA2   Fr= 1--       0.410                255.058                269.352
 CID2   Fr= 1--       9.900                 13.010                 13.834
 Raman3 Fr= 1--       0.083                 39.209                 38.942
 ROA3   Fr= 1--       2.056               1192.832               1275.165
 CID3   Fr= 1--      24.843                 30.422                 32.746
 RC180  Fr= 1--       0.622                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.01    -0.04  -0.00  -0.01     0.04   0.01   0.00
     2   6    -0.03   0.02  -0.01    -0.03   0.02  -0.00     0.03  -0.02   0.01
     3   7     0.03   0.01  -0.00     0.02   0.01  -0.00    -0.03  -0.02   0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.03  -0.00     0.02  -0.03  -0.00    -0.02   0.02   0.00
     6   7     0.01   0.03  -0.00    -0.02  -0.04   0.00    -0.01  -0.01  -0.00
     7   6     0.03  -0.03  -0.01    -0.03   0.04   0.01    -0.00   0.01   0.01
     8   6    -0.00  -0.04  -0.01     0.00   0.05   0.01     0.00   0.01  -0.00
     9   7    -0.03   0.02  -0.00     0.04  -0.02   0.00    -0.00  -0.00   0.00
    10   7    -0.00  -0.03  -0.00     0.00  -0.02   0.00    -0.00  -0.04  -0.00
    11   6     0.03   0.02  -0.01     0.02   0.01  -0.01     0.05   0.02  -0.01
    12   6     0.01   0.03  -0.01     0.00   0.02   0.00     0.02   0.05  -0.01
    13   7    -0.03  -0.01  -0.00    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00
    14   1     0.13   0.16   0.22    -0.18  -0.23  -0.28    -0.01  -0.02  -0.02
    15   1    -0.12  -0.11  -0.05     0.14   0.14   0.08     0.00   0.00  -0.01
    16   1    -0.20   0.05   0.22     0.26  -0.07  -0.27     0.08  -0.02  -0.08
    17   1     0.15  -0.01  -0.05    -0.18   0.02   0.07    -0.06   0.01   0.04
    18   1    -0.19   0.03   0.20    -0.12   0.02   0.12    -0.27   0.03   0.27
    19   1     0.14  -0.04  -0.05     0.09  -0.03  -0.04     0.18  -0.05  -0.07
    20   1     0.05  -0.18   0.21     0.02  -0.07   0.07     0.08  -0.28   0.28
    21   1    -0.06   0.13  -0.05    -0.01   0.04  -0.01    -0.08   0.19  -0.08
    22   1     0.07  -0.19   0.22     0.07  -0.16   0.17    -0.09   0.21  -0.23
    23   1    -0.03   0.15  -0.05    -0.03   0.11  -0.03     0.04  -0.16   0.07
    24   1     0.14   0.15   0.22     0.15   0.15   0.21    -0.14  -0.13  -0.19
    25   1    -0.09  -0.13  -0.05    -0.09  -0.12  -0.07     0.08   0.10   0.04
    26   1     0.09   0.20  -0.01     0.10   0.22  -0.01    -0.09  -0.19   0.01
    27   1    -0.08  -0.03  -0.01    -0.05   0.00  -0.01     0.06   0.02   0.01
    28   1     0.01  -0.22  -0.01     0.01  -0.18  -0.00    -0.00   0.26   0.01
    29   1    -0.06   0.06  -0.01    -0.05   0.04  -0.01     0.05  -0.02   0.01
    30   1     0.11  -0.16  -0.01     0.04  -0.06   0.00     0.19  -0.26  -0.01
    31   1     0.02   0.08  -0.01     0.00   0.04  -0.01     0.03   0.07  -0.02
    32   1    -0.18   0.09  -0.01    -0.13   0.07  -0.01    -0.27   0.15  -0.01
    33   1     0.08   0.02  -0.01     0.01   0.02  -0.01     0.07   0.04  -0.02
    34   1    -0.21  -0.02  -0.01     0.30   0.03   0.01     0.09   0.01   0.01
    35   1     0.06  -0.05  -0.01    -0.05   0.06   0.02     0.01   0.01   0.00
    36   1     0.19   0.12  -0.01    -0.28  -0.17   0.01    -0.01  -0.01  -0.00
    37   1    -0.02  -0.08  -0.01    -0.00   0.08   0.02     0.01   0.02   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.5241              1405.5276              1405.7048
 Red. masses --      1.2649                 1.2670                 1.2666
 Frc consts  --      1.4702                 1.4747                 1.4746
 IR Inten    --      0.0749                 1.3551                 1.3702
 RamAct Fr= 1--      0.0132                 2.9676                 2.7600
  Dep-P Fr= 1--      0.7476                 0.7480                 0.7497
  Dep-U Fr= 1--      0.8555                 0.8558                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0019                 0.4233                 0.3942
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0001                -3.5659                -3.3299
 Delta2 Fr= 1--      0.0014                -1.4976                -1.3622
 Raman1 Fr= 1--       0.053                 11.870                 11.040
 ROA1   Fr= 1--       0.056               -390.255               -363.259
 CID1   Fr= 1--       1.050                -32.876                -32.904
 Raman2 Fr= 1--       0.023                  5.079                  4.730
 ROA2   Fr= 1--      -0.008                -73.602                -69.019
 CID2   Fr= 1--      -0.345                -14.490                -14.591
 Raman3 Fr= 1--       0.045                 10.159                  9.461
 ROA3   Fr= 1--       0.056               -390.255               -363.259
 CID3   Fr= 1--       1.228                -38.415                -38.396
 RC180  Fr= 1--       0.711                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.04    -0.00  -0.01  -0.02     0.01   0.05   0.07
     2   6    -0.00  -0.03   0.04     0.00   0.01  -0.02    -0.01  -0.05   0.07
     3   7     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.02
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.01   0.00  -0.01    -0.01  -0.00   0.01     0.02   0.00  -0.02
     6   7    -0.01   0.01  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
     7   6    -0.04  -0.01   0.05    -0.04  -0.01   0.06     0.01   0.00  -0.02
     8   6     0.04   0.01   0.05     0.04   0.02   0.06    -0.01  -0.01  -0.02
     9   7     0.00   0.02  -0.02     0.00   0.02  -0.02    -0.00  -0.01   0.01
    10   7    -0.01  -0.00  -0.01     0.01   0.01   0.02     0.01   0.01   0.01
    11   6    -0.03   0.02   0.04     0.03  -0.02  -0.05     0.02  -0.02  -0.04
    12   6     0.02  -0.02   0.04    -0.03   0.03  -0.05    -0.02   0.02  -0.05
    13   7    -0.00  -0.01  -0.01     0.00   0.01   0.02     0.00   0.01   0.01
    14   1    -0.09  -0.12  -0.20    -0.10  -0.12  -0.25     0.03   0.04   0.07
    15   1    -0.16  -0.20  -0.21    -0.17  -0.23  -0.25     0.07   0.08   0.08
    16   1     0.14  -0.04  -0.20     0.16  -0.04  -0.24    -0.04   0.00   0.08
    17   1     0.25  -0.06  -0.21     0.28  -0.08  -0.26    -0.06   0.02   0.07
    18   1     0.13  -0.01  -0.17    -0.14   0.02   0.20    -0.11   0.02   0.18
    19   1     0.22  -0.04  -0.18    -0.26   0.04   0.22    -0.20   0.02   0.18
    20   1    -0.03   0.13  -0.17     0.04  -0.13   0.21     0.03  -0.12   0.17
    21   1    -0.07   0.21  -0.18     0.06  -0.23   0.21     0.06  -0.22   0.19
    22   1    -0.06   0.12  -0.17     0.01  -0.04   0.08    -0.07   0.16  -0.26
    23   1    -0.08   0.21  -0.18     0.03  -0.06   0.07    -0.12   0.30  -0.28
    24   1    -0.09  -0.09  -0.17     0.04   0.03   0.07    -0.12  -0.12  -0.27
    25   1    -0.15  -0.16  -0.18     0.07   0.08   0.08    -0.22  -0.22  -0.28
    26   1     0.04   0.08   0.02    -0.02  -0.05  -0.01     0.07   0.13   0.03
    27   1    -0.06  -0.08  -0.01     0.02   0.03   0.00    -0.07  -0.11  -0.01
    28   1     0.01  -0.09   0.02    -0.00   0.02  -0.01     0.01  -0.15   0.03
    29   1    -0.02   0.10  -0.01     0.01  -0.04   0.00    -0.02   0.13  -0.01
    30   1     0.05  -0.08   0.02    -0.06   0.09  -0.02    -0.06   0.09  -0.02
    31   1    -0.04   0.09  -0.01     0.05  -0.09   0.01     0.05  -0.08   0.01
    32   1    -0.09   0.04   0.02     0.12  -0.06  -0.02     0.08  -0.04  -0.02
    33   1     0.10  -0.03  -0.01    -0.10   0.04   0.01    -0.09   0.03   0.01
    34   1    -0.11  -0.00   0.02    -0.14  -0.01   0.03     0.03   0.00  -0.01
    35   1     0.12  -0.01  -0.01     0.12  -0.00  -0.01    -0.04   0.01   0.00
    36   1     0.09   0.06   0.02     0.11   0.08   0.03    -0.05  -0.03  -0.01
    37   1    -0.09  -0.08  -0.01    -0.09  -0.08  -0.01     0.03   0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1443.1425              1443.4477              1446.5816
 Red. masses --      1.4440                 1.4419                 1.4480
 Frc consts  --      1.7718                 1.7700                 1.7853
 IR Inten    --      3.8558                 3.8701                 0.0073
 RamAct Fr= 1--      0.7015                 0.6916                 0.4547
  Dep-P Fr= 1--      0.7483                 0.7495                 0.7476
  Dep-U Fr= 1--      0.8560                 0.8568                 0.8556
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1001                 0.0988                 0.0648
 AlphaG Fr= 1--     -0.0002                 0.0000                 0.0040
 Gamma2 Fr= 1--      1.0210                 0.9694                 0.6111
 Delta2 Fr= 1--      0.8167                 0.8192                 0.6158
 Raman1 Fr= 1--       2.806                  2.766                  1.819
 ROA1   Fr= 1--     124.152                119.272                 78.371
 CID1   Fr= 1--      44.246                 43.113                 43.091
 Raman2 Fr= 1--       1.201                  1.185                  0.778
 ROA2   Fr= 1--      17.971                 16.711                  9.740
 CID2   Fr= 1--      14.964                 14.100                 12.519
 Raman3 Fr= 1--       2.402                  2.370                  1.556
 ROA3   Fr= 1--     124.152                119.272                 78.371
 CID3   Fr= 1--      51.687                 50.318                 50.365
 RC180  Fr= 1--       0.712                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03     0.03   0.02   0.09     0.03   0.01   0.08
     2   6    -0.01   0.01  -0.03    -0.02   0.03  -0.10    -0.02   0.02  -0.07
     3   7    -0.00   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.02
     4  45    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7     0.01   0.00  -0.01     0.01   0.01  -0.03     0.01   0.01  -0.02
     6   7     0.01  -0.01   0.03     0.00  -0.00   0.01    -0.01   0.00  -0.02
     7   6     0.03  -0.02  -0.10     0.00  -0.00  -0.02    -0.02   0.01   0.07
     8   6     0.01   0.04   0.10     0.00   0.01   0.02    -0.01  -0.02  -0.07
     9   7     0.01   0.01  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.02
    10   7     0.01   0.00   0.02    -0.01  -0.00  -0.02     0.01   0.00   0.02
    11   6     0.02   0.00  -0.06    -0.03  -0.00   0.08     0.03   0.00  -0.07
    12   6    -0.00  -0.02   0.06    -0.00   0.03  -0.08     0.00  -0.03   0.07
    13   7     0.00  -0.01  -0.02     0.00   0.01   0.02     0.00  -0.01  -0.02
    14   1    -0.11  -0.07  -0.19    -0.03  -0.03  -0.04     0.08   0.07   0.12
    15   1    -0.14  -0.27  -0.36    -0.04  -0.06  -0.07     0.10   0.18   0.23
    16   1    -0.14  -0.01   0.19    -0.02  -0.01   0.03     0.10  -0.01  -0.12
    17   1    -0.28   0.13   0.37    -0.04   0.03   0.07     0.19  -0.08  -0.23
    18   1    -0.08   0.04   0.12     0.09  -0.05  -0.14    -0.10   0.04   0.13
    19   1    -0.20  -0.00   0.23     0.23   0.02  -0.28    -0.22  -0.00   0.25
    20   1    -0.05   0.06  -0.11     0.06  -0.10   0.14    -0.05   0.10  -0.13
    21   1    -0.01   0.18  -0.22     0.03  -0.25   0.28    -0.03   0.22  -0.25
    22   1    -0.01  -0.03   0.06     0.01  -0.13   0.17     0.02  -0.11   0.13
    23   1     0.05  -0.06   0.11     0.15  -0.25   0.34     0.11  -0.20   0.25
    24   1    -0.03  -0.04  -0.06    -0.05  -0.11  -0.17    -0.06  -0.10  -0.13
    25   1    -0.08  -0.07  -0.12    -0.23  -0.16  -0.34    -0.18  -0.14  -0.26
    26   1     0.02   0.03   0.01     0.05   0.08   0.06     0.04   0.05   0.05
    27   1    -0.03  -0.05  -0.00    -0.05  -0.14  -0.01    -0.04  -0.14  -0.00
    28   1    -0.01   0.03  -0.03    -0.02   0.10  -0.06    -0.02   0.06  -0.05
    29   1    -0.01  -0.04   0.00     0.00  -0.15   0.01    -0.01  -0.14  -0.00
    30   1     0.03  -0.06   0.05    -0.04   0.07  -0.04     0.03  -0.06   0.05
    31   1    -0.07   0.07  -0.00     0.08  -0.10   0.00    -0.09   0.10   0.00
    32   1     0.06  -0.02  -0.03    -0.07   0.02   0.06     0.06  -0.02  -0.05
    33   1    -0.09   0.05   0.00     0.10  -0.07  -0.00    -0.11   0.08  -0.00
    34   1     0.10  -0.01  -0.06     0.02  -0.00  -0.02    -0.06   0.01   0.05
    35   1    -0.16  -0.02   0.01    -0.03  -0.02   0.00     0.13   0.03   0.00
    36   1     0.08   0.07   0.07     0.02   0.01   0.00    -0.04  -0.04  -0.05
    37   1    -0.15  -0.08  -0.01    -0.03  -0.03  -0.00     0.12   0.05  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.6718              1502.9195              1503.0272
 Red. masses --      1.0825                 1.0796                 1.0836
 Frc consts  --      1.4402                 1.4367                 1.4422
 IR Inten    --     44.5735                18.2203                 8.9762
 RamAct Fr= 1--      1.7984                 2.5786                 6.8171
  Dep-P Fr= 1--      0.3508                 0.7469                 0.1754
  Dep-U Fr= 1--      0.5194                 0.8551                 0.2985
 Alpha2 Fr= 1--      0.0157                 0.0001                 0.0987
 Beta2  Fr= 1--      0.1557                 0.3675                 0.3391
 AlphaG Fr= 1--      0.0332                 0.0005                 0.2051
 Gamma2 Fr= 1--      0.0201                 0.6326                 0.4918
 Delta2 Fr= 1--      0.0792                 0.6015                 0.3447
 Raman1 Fr= 1--       7.194                 10.314                 27.268
 ROA1   Fr= 1--       4.461                 79.977                 58.244
 CID1   Fr= 1--       0.620                  7.754                  2.136
 Raman2 Fr= 1--       1.868                  4.410                  4.070
 ROA2   Fr= 1--      -0.152                 10.371                  9.046
 CID2   Fr= 1--      -0.081                  2.352                  2.223
 Raman3 Fr= 1--       3.736                  8.820                  8.140
 ROA3   Fr= 1--       4.461                 79.977                 58.244
 CID3   Fr= 1--       1.194                  9.068                  7.156
 RC180  Fr= 1--       0.039                  0.710                 -0.403
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
     2   6     0.01  -0.01  -0.01    -0.01   0.02   0.02     0.01  -0.04  -0.04
     3   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   7    -0.01  -0.00  -0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.05   0.01  -0.04    -0.03   0.00  -0.03     0.01  -0.00   0.01
     8   6    -0.00   0.00  -0.01    -0.01  -0.01   0.00     0.01   0.01  -0.01
     9   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6    -0.01   0.00  -0.01    -0.02   0.01  -0.00    -0.04   0.01  -0.03
    12   6     0.01  -0.03  -0.03    -0.02   0.04   0.04    -0.01   0.02   0.01
    13   7     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.01   0.00
    14   1    -0.01  -0.05   0.03    -0.00   0.05  -0.03     0.00  -0.13   0.09
    15   1    -0.03   0.03   0.06     0.07   0.02  -0.00    -0.14   0.00   0.06
    16   1     0.29  -0.37   0.29     0.21  -0.26   0.20    -0.07   0.09  -0.07
    17   1     0.39   0.30   0.22     0.30   0.21   0.14    -0.10  -0.07  -0.04
    18   1     0.12   0.06   0.08     0.09   0.06   0.07     0.31   0.18   0.22
    19   1     0.05  -0.12   0.08     0.10  -0.11   0.02     0.21  -0.33   0.15
    20   1     0.11   0.29   0.19    -0.16  -0.40  -0.27    -0.08  -0.18  -0.12
    21   1    -0.30   0.12   0.15     0.42  -0.19  -0.19     0.20  -0.11  -0.06
    22   1    -0.13   0.08   0.10     0.19  -0.11  -0.13    -0.34   0.20   0.25
    23   1     0.08   0.13   0.08    -0.11  -0.21  -0.10     0.21   0.37   0.18
    24   1    -0.07  -0.01   0.05     0.01   0.00  -0.00     0.04   0.00  -0.03
    25   1     0.03  -0.06   0.06    -0.01   0.01  -0.01     0.02   0.06   0.01
    26   1    -0.01  -0.03   0.02    -0.00  -0.01  -0.00     0.00   0.00   0.02
    27   1     0.03   0.00   0.00    -0.01  -0.00  -0.00     0.03   0.01   0.00
    28   1     0.00   0.01   0.00     0.00   0.00   0.01     0.00   0.02  -0.01
    29   1     0.01  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
    30   1    -0.01   0.01  -0.00     0.00  -0.00   0.02    -0.00   0.00   0.02
    31   1    -0.00  -0.00  -0.00    -0.01  -0.03   0.00    -0.01  -0.03   0.00
    32   1     0.01  -0.01   0.01    -0.01   0.00  -0.03     0.00  -0.00  -0.02
    33   1    -0.02  -0.01   0.00     0.04   0.02  -0.00     0.02   0.01  -0.00
    34   1     0.02   0.01  -0.01    -0.02  -0.00  -0.03    -0.01  -0.00   0.01
    35   1     0.01   0.00  -0.00     0.02  -0.02  -0.00    -0.01   0.00   0.00
    36   1    -0.01  -0.01   0.02     0.01   0.00   0.01    -0.02  -0.01   0.00
    37   1     0.00   0.04   0.00     0.00   0.02   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.3185              1503.5781              1503.9600
 Red. masses --      1.0792                 1.0792                 1.0798
 Frc consts  --      1.4370                 1.4375                 1.4391
 IR Inten    --      4.8342                21.8620                 6.1460
 RamAct Fr= 1--     14.4149                 3.2745                12.6870
  Dep-P Fr= 1--      0.7484                 0.7296                 0.6629
  Dep-U Fr= 1--      0.8561                 0.8437                 0.7973
 Alpha2 Fr= 1--      0.0004                 0.0011                 0.0197
 Beta2  Fr= 1--      2.0568                 0.4604                 1.6859
 AlphaG Fr= 1--      0.0003                 0.0035                 0.0420
 Gamma2 Fr= 1--     -5.2174                 0.7712                -3.9065
 Delta2 Fr= 1--     -1.2319                 0.9162                -0.6732
 Raman1 Fr= 1--      57.659                 13.098                 50.748
 ROA1   Fr= 1--    -540.290                103.356               -396.566
 CID1   Fr= 1--      -9.370                  7.891                 -7.814
 Raman2 Fr= 1--      24.682                  5.525                 20.231
 ROA2   Fr= 1--    -115.362                 11.180                -88.370
 CID2   Fr= 1--      -4.674                  2.024                 -4.368
 Raman3 Fr= 1--      49.364                 11.050                 40.462
 ROA3   Fr= 1--    -540.290                103.356               -396.566
 CID3   Fr= 1--     -10.945                  9.353                 -9.801
 RC180  Fr= 1--       0.712                  0.687                  0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00    -0.01  -0.02   0.02    -0.04  -0.04   0.05
     2   6     0.01  -0.04  -0.03     0.00  -0.01  -0.00    -0.00   0.00   0.01
     3   7     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.01    -0.00  -0.00   0.01    -0.00   0.00  -0.01
     8   6    -0.01  -0.01   0.00    -0.04  -0.04   0.04     0.01   0.01  -0.02
     9   7     0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    10   7     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.04  -0.01   0.04    -0.01   0.00  -0.01     0.00  -0.00  -0.00
    12   6    -0.00   0.01   0.02     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    13   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.07  -0.04     0.01   0.54  -0.33    -0.00  -0.21   0.13
    15   1     0.09   0.02  -0.02     0.58   0.01  -0.24    -0.22  -0.00   0.10
    16   1     0.08  -0.11   0.08    -0.02   0.01  -0.01     0.04  -0.04   0.03
    17   1     0.13   0.08   0.05     0.02  -0.03  -0.05     0.03   0.04   0.04
    18   1    -0.37  -0.21  -0.26     0.13   0.07   0.08    -0.01  -0.01  -0.01
    19   1    -0.22   0.39  -0.20     0.09  -0.13   0.06    -0.02   0.02   0.00
    20   1    -0.06  -0.17  -0.11     0.03   0.07   0.04     0.02   0.05   0.03
    21   1     0.17  -0.04  -0.11    -0.07   0.02   0.04    -0.06   0.04   0.01
    22   1    -0.30   0.18   0.21    -0.05   0.03   0.04     0.06  -0.04  -0.04
    23   1     0.17   0.34   0.14     0.02   0.07   0.01    -0.05  -0.03  -0.07
    24   1     0.06   0.00  -0.04     0.21   0.03  -0.13     0.55   0.08  -0.34
    25   1     0.02   0.08   0.00    -0.02   0.22  -0.09    -0.07   0.59  -0.25
    26   1    -0.00  -0.01   0.02     0.00   0.00   0.01    -0.00   0.00   0.02
    27   1     0.03   0.01   0.00     0.01   0.00   0.00     0.01   0.01   0.00
    28   1    -0.00  -0.02  -0.02     0.00   0.00  -0.01    -0.00  -0.01  -0.02
    29   1    -0.03   0.02  -0.00    -0.01   0.01  -0.00    -0.04   0.02  -0.00
    30   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    31   1     0.01   0.03  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    32   1    -0.01   0.01   0.01    -0.02   0.01  -0.02     0.01  -0.01   0.01
    33   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    34   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.02     0.01   0.00   0.01
    35   1     0.01  -0.01  -0.00     0.03  -0.03  -0.00    -0.01   0.01   0.00
    36   1    -0.02  -0.01   0.02     0.00  -0.00   0.02     0.00   0.00  -0.01
    37   1    -0.00   0.03   0.00     0.01   0.02   0.00    -0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1643.7687              1657.2017              1657.7968
 Red. masses --      1.0765                 1.0784                 1.0781
 Frc consts  --      1.7137                 1.7450                 1.7457
 IR Inten    --     84.6136                39.8373                41.2688
 RamAct Fr= 1--      0.0169                 6.9154                 6.6337
  Dep-P Fr= 1--      0.7477                 0.7500                 0.7486
  Dep-U Fr= 1--      0.8557                 0.8571                 0.8562
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0024                 0.9879                 0.9467
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0011
 Gamma2 Fr= 1--      0.0093                 5.3353                 4.8567
 Delta2 Fr= 1--      0.0081                 5.4782                 5.1496
 Raman1 Fr= 1--       0.067                 27.662                 26.535
 ROA1   Fr= 1--       1.151                687.491                631.031
 CID1   Fr= 1--      17.055                 24.854                 23.781
 Raman2 Fr= 1--       0.029                 11.855                 11.360
 ROA2   Fr= 1--       0.159                 84.222                 75.364
 CID2   Fr= 1--       5.500                  7.104                  6.634
 Raman3 Fr= 1--       0.058                 23.710                 22.720
 ROA3   Fr= 1--       1.151                687.491                631.031
 CID3   Fr= 1--      19.932                 28.996                 27.774
 RC180  Fr= 1--       0.711                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     3   7    -0.02   0.01  -0.02    -0.02   0.02  -0.02    -0.01   0.01  -0.01
     4  45    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.02  -0.01  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.02  -0.02  -0.02    -0.02   0.01   0.02    -0.02   0.02   0.02
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.01
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     9   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.03  -0.02
    10   7     0.02   0.01  -0.02    -0.01  -0.00   0.01    -0.03  -0.01   0.02
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    12   6     0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.01   0.01
    14   1     0.01   0.02  -0.00    -0.01  -0.01   0.00     0.02  -0.02   0.03
    15   1     0.00  -0.01  -0.01     0.00   0.01   0.01    -0.04  -0.00   0.01
    16   1    -0.02   0.01  -0.00     0.01  -0.00   0.00     0.00   0.02  -0.03
    17   1     0.00  -0.01  -0.01    -0.00   0.01   0.01    -0.03  -0.02  -0.01
    18   1    -0.02  -0.00  -0.00    -0.01  -0.02  -0.03     0.01  -0.01  -0.01
    19   1     0.01   0.01  -0.01    -0.01   0.02  -0.01    -0.02   0.01   0.00
    20   1     0.00  -0.02   0.00     0.02   0.00   0.02     0.00   0.01   0.01
    21   1     0.01   0.01  -0.01    -0.02   0.02   0.00    -0.01   0.00   0.00
    22   1     0.01  -0.02  -0.00    -0.02  -0.01   0.02     0.01  -0.01  -0.01
    23   1    -0.01   0.00  -0.01     0.01   0.03   0.00    -0.01  -0.01  -0.01
    24   1     0.02   0.01  -0.00     0.02  -0.01  -0.03    -0.00   0.01   0.01
    25   1    -0.01   0.00  -0.01    -0.00   0.03  -0.01    -0.01  -0.02  -0.00
    26   1     0.06   0.08   0.27    -0.04  -0.05  -0.16     0.07   0.10   0.31
    27   1     0.28  -0.04   0.02    -0.17   0.02  -0.01     0.34  -0.02   0.03
    28   1     0.03  -0.11   0.28     0.04  -0.13   0.36     0.01  -0.04   0.12
    29   1     0.29  -0.07   0.02     0.37  -0.12   0.03     0.12  -0.04   0.01
    30   1     0.04  -0.10   0.29     0.05  -0.13   0.36    -0.01   0.03  -0.10
    31   1    -0.19  -0.24   0.02    -0.23  -0.33   0.03     0.05   0.09  -0.01
    32   1    -0.10   0.03   0.26     0.05  -0.01  -0.13     0.12  -0.03  -0.31
    33   1    -0.19  -0.19   0.02     0.10   0.10  -0.01     0.25   0.23  -0.03
    34   1    -0.10   0.01   0.27     0.09  -0.01  -0.24     0.12  -0.02  -0.33
    35   1    -0.10   0.26   0.02     0.11  -0.23  -0.02     0.15  -0.33  -0.03
    36   1     0.07   0.07   0.26    -0.07  -0.07  -0.25     0.08   0.08   0.30
    37   1    -0.08   0.27   0.02     0.05  -0.27  -0.02    -0.08   0.32   0.03
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.4543              1667.5236              1668.0859
 Red. masses --      1.0788                 1.0780                 1.0776
 Frc consts  --      1.7504                 1.7660                 1.7667
 IR Inten    --      0.3598                31.2951                32.9982
 RamAct Fr= 1--      3.7766                 5.8022                 5.4843
  Dep-P Fr= 1--      0.6831                 0.7499                 0.7499
  Dep-U Fr= 1--      0.8117                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0044                 0.0000                 0.0000
 Beta2  Fr= 1--      0.5109                 0.8288                 0.7834
 AlphaG Fr= 1--     -0.0398                -0.0001                -0.0001
 Gamma2 Fr= 1--    -10.1729                 3.5384                 3.3440
 Delta2 Fr= 1--     -4.5286                 0.1172                -0.0061
 Raman1 Fr= 1--      15.106                 23.209                 21.937
 ROA1   Fr= 1--   -1121.512                343.440                320.826
 CID1   Fr= 1--     -74.242                 14.798                 14.625
 Raman2 Fr= 1--       6.131                  9.946                  9.401
 ROA2   Fr= 1--    -207.920                 83.985                 80.304
 CID2   Fr= 1--     -33.912                  8.444                  8.542
 Raman3 Fr= 1--      12.262                 19.892                 18.802
 ROA3   Fr= 1--   -1121.512                343.440                320.826
 CID3   Fr= 1--     -91.461                 17.265                 17.063
 RC180  Fr= 1--       0.623                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.01     0.00   0.00   0.01     0.00   0.00   0.01
     3   7     0.02  -0.01   0.02     0.03  -0.02   0.02     0.01  -0.00   0.01
     4  45    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.03  -0.00  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.01  -0.01  -0.01    -0.01   0.02   0.02    -0.02   0.02   0.02
     7   6     0.00  -0.00  -0.01     0.00   0.00   0.01     0.00   0.00   0.00
     8   6    -0.00   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
     9   7     0.00   0.02   0.02    -0.00  -0.02  -0.02     0.00   0.02   0.02
    10   7    -0.02  -0.01   0.02     0.01   0.00  -0.01     0.03   0.01  -0.03
    11   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.01
    12   6     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00   0.00   0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.01     0.01  -0.00   0.02    -0.01  -0.01  -0.00
    15   1     0.00  -0.01  -0.01    -0.01   0.01   0.01     0.00   0.00   0.00
    16   1    -0.01  -0.01   0.01     0.01   0.01  -0.02     0.01   0.00  -0.01
    17   1    -0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.00   0.00  -0.00
    18   1     0.00  -0.02  -0.02    -0.01  -0.00  -0.01    -0.01   0.01   0.02
    19   1    -0.00   0.02  -0.02     0.00   0.01  -0.01     0.00  -0.01   0.01
    20   1     0.02   0.00   0.02     0.01  -0.01   0.01    -0.01  -0.01  -0.01
    21   1    -0.02  -0.00   0.02    -0.01   0.00   0.01     0.01   0.00  -0.01
    22   1     0.01   0.01  -0.02     0.00   0.02  -0.01     0.01   0.00  -0.01
    23   1    -0.01  -0.01  -0.02    -0.00  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.01   0.02    -0.01  -0.01   0.00    -0.00   0.02   0.02
    25   1     0.01  -0.01   0.02     0.01  -0.00   0.01     0.01  -0.01   0.01
    26   1     0.06   0.06   0.32    -0.03  -0.03  -0.18     0.07   0.07   0.34
    27   1     0.33  -0.04   0.03    -0.18   0.03  -0.02     0.36  -0.03   0.03
    28   1    -0.03   0.07  -0.29    -0.04   0.10  -0.36    -0.01   0.03  -0.08
    29   1    -0.29   0.07  -0.03    -0.36   0.11  -0.03    -0.08   0.04  -0.01
    30   1     0.02  -0.07   0.28     0.03  -0.10   0.37    -0.01   0.01  -0.03
    31   1    -0.18  -0.23   0.03    -0.22  -0.32   0.03     0.01   0.03  -0.00
    32   1     0.09  -0.01  -0.31    -0.03   0.00   0.12    -0.11   0.02   0.39
    33   1     0.23   0.23  -0.03    -0.08  -0.09   0.01    -0.30  -0.27   0.03
    34   1    -0.05   0.02   0.21     0.07  -0.01  -0.23     0.08  -0.02  -0.32
    35   1    -0.08   0.20   0.02     0.11  -0.22  -0.02     0.14  -0.31  -0.03
    36   1    -0.03  -0.05  -0.23     0.06   0.07   0.29    -0.05  -0.06  -0.28
    37   1     0.07  -0.23  -0.02    -0.06   0.30   0.02     0.07  -0.29  -0.02
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0024              3071.1302              3071.5942
 Red. masses --      1.0632                 1.0632                 1.0630
 Frc consts  --      5.9078                 5.9081                 5.9089
 IR Inten    --      5.9240                 5.1293                 5.3972
 RamAct Fr= 1--    175.8719               234.2217               224.0589
  Dep-P Fr= 1--      0.0415                 0.0313                 0.0327
  Dep-U Fr= 1--      0.0798                 0.0608                 0.0634
 Alpha2 Fr= 1--      3.5446                 4.8358                 4.6108
 Beta2  Fr= 1--      2.3378                 2.3732                 2.3679
 AlphaG Fr= 1--      0.1161                 0.1954                 0.1642
 Gamma2 Fr= 1--     10.2856                 0.6325                 2.2983
 Delta2 Fr= 1--      8.3825                 2.3935                 3.4417
 Raman1 Fr= 1--     703.488                936.887                896.236
 ROA1   Fr= 1--    1255.661                137.313                330.769
 CID1   Fr= 1--       1.785                  0.147                  0.369
 Raman2 Fr= 1--      28.054                 28.478                 28.414
 ROA2   Fr= 1--     179.795                 -3.969                 27.625
 CID2   Fr= 1--       6.409                 -0.139                  0.972
 Raman3 Fr= 1--      56.107                 56.956                 56.828
 ROA3   Fr= 1--    1255.661                137.313                330.769
 CID3   Fr= 1--      22.380                  2.411                  5.820
 RC180  Fr= 1--      -0.840                 -0.878                 -0.873
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.03
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.03  -0.02   0.03     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.01   0.03  -0.03     0.00   0.00  -0.00
     9   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.03   0.00   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.04  -0.04    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.01   0.01    -0.34   0.10   0.11    -0.01   0.00   0.00
    15   1     0.01  -0.04   0.02     0.16  -0.49   0.26     0.00  -0.01   0.01
    16   1    -0.02  -0.02  -0.01    -0.22  -0.30  -0.12    -0.00  -0.00  -0.00
    17   1    -0.01   0.04  -0.02    -0.18   0.51  -0.28    -0.00   0.01  -0.00
    18   1    -0.08   0.33  -0.11     0.01  -0.03   0.01     0.00  -0.00   0.00
    19   1    -0.34  -0.38  -0.26     0.03   0.03   0.02     0.00   0.00   0.00
    20   1    -0.38   0.04   0.12     0.03  -0.00  -0.01     0.01  -0.00  -0.00
    21   1     0.36   0.42   0.28    -0.03  -0.03  -0.02    -0.01  -0.01  -0.00
    22   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.27   0.25   0.11
    23   1    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.51   0.11   0.27
    24   1    -0.00   0.01  -0.00     0.00  -0.01   0.00    -0.15   0.34  -0.12
    25   1     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.52  -0.10  -0.27
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    32   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    35   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    36   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3076.0315              3076.1921              3076.4755
 Red. masses --      1.0604                 1.0604                 1.0604
 Frc consts  --      5.9113                 5.9121                 5.9131
 IR Inten    --      3.5265                11.1498                10.0478
 RamAct Fr= 1--     12.4514                57.7606                51.8198
  Dep-P Fr= 1--      0.6900                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8166                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0131                 0.0001                 0.0000
 Beta2  Fr= 1--      1.6946                 8.2510                 7.4028
 AlphaG Fr= 1--      0.0005                 0.0000                -0.0000
 Gamma2 Fr= 1--     -2.0087                -8.4813                -7.6328
 Delta2 Fr= 1--     -1.5832                -6.9877                -6.3428
 Raman1 Fr= 1--      49.805                231.042                207.279
 ROA1   Fr= 1--    -243.495              -1037.817               -935.721
 CID1   Fr= 1--      -4.889                 -4.492                 -4.514
 Raman2 Fr= 1--      20.336                 99.012                 88.833
 ROA2   Fr= 1--     -35.543               -147.650               -132.445
 CID2   Fr= 1--      -1.748                 -1.491                 -1.491
 Raman3 Fr= 1--      40.671                198.024                177.667
 ROA3   Fr= 1--    -243.495              -1037.817               -935.721
 CID3   Fr= 1--      -5.987                 -5.241                 -5.267
 RC180  Fr= 1--       0.633                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.02  -0.03   0.03
     2   6    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.01   0.04   0.03
     3   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.00   0.02     0.03  -0.00   0.03    -0.01   0.00  -0.01
     8   6    -0.01  -0.01   0.02    -0.02  -0.02   0.03     0.00   0.00  -0.01
     9   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.03  -0.01   0.03    -0.02   0.01  -0.02    -0.00   0.00  -0.00
    12   6    -0.01   0.03   0.03     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    13   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.24  -0.07  -0.08     0.40  -0.12  -0.13    -0.08   0.02   0.02
    15   1    -0.07   0.22  -0.12    -0.12   0.36  -0.20     0.02  -0.07   0.04
    16   1    -0.15  -0.20  -0.07    -0.24  -0.32  -0.12     0.05   0.07   0.03
    17   1    -0.07   0.21  -0.11    -0.11   0.33  -0.18     0.02  -0.07   0.04
    18   1    -0.10   0.41  -0.13     0.06  -0.26   0.08     0.02  -0.07   0.02
    19   1    -0.25  -0.29  -0.20     0.16   0.18   0.13     0.04   0.05   0.03
    20   1     0.38  -0.04  -0.12    -0.25   0.03   0.08    -0.06   0.01   0.02
    21   1    -0.22  -0.26  -0.18     0.15   0.17   0.12     0.04   0.04   0.03
    22   1    -0.07  -0.07  -0.03    -0.02  -0.02  -0.01    -0.35  -0.33  -0.15
    23   1     0.09  -0.02  -0.05     0.03  -0.01  -0.01     0.42  -0.08  -0.22
    24   1    -0.04   0.09  -0.03    -0.02   0.03  -0.01    -0.19   0.43  -0.14
    25   1     0.09  -0.02  -0.05     0.03  -0.01  -0.02     0.41  -0.08  -0.22
    26   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    28   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    36   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3116.6589              3116.7471              3116.9752
 Red. masses --      1.1078                 1.1079                 1.1080
 Frc consts  --      6.3401                 6.3408                 6.3426
 IR Inten    --     11.5299                10.4188                 1.2212
 RamAct Fr= 1--    118.4091               122.4134               151.0854
  Dep-P Fr= 1--      0.7343                 0.6256                 0.1309
  Dep-U Fr= 1--      0.8468                 0.7697                 0.2315
 Alpha2 Fr= 1--      0.0318                 0.2774                 2.4506
 Beta2  Fr= 1--     16.7111                15.7041                 5.8297
 AlphaG Fr= 1--     -0.0149                -0.1510                -1.3688
 Gamma2 Fr= 1--    -17.1108                -5.6947                93.8268
 Delta2 Fr= 1--    -29.7154               -20.5170                62.2677
 Raman1 Fr= 1--     473.636                489.653                604.342
 ROA1   Fr= 1--   -2593.532              -1203.235              10999.937
 CID1   Fr= 1--      -5.476                 -2.457                 18.202
 Raman2 Fr= 1--     200.533                188.449                 69.956
 ROA2   Fr= 1--    -172.936                 27.462               1753.701
 CID2   Fr= 1--      -0.862                  0.146                 25.068
 Raman3 Fr= 1--     401.065                376.897                139.913
 ROA3   Fr= 1--   -2593.532              -1203.235              10999.937
 CID3   Fr= 1--      -6.467                 -3.192                 78.620
 RC180  Fr= 1--       0.694                  0.539                 -0.537
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.03   0.00     0.04  -0.04   0.00
     2   6     0.01   0.00   0.00    -0.04  -0.02  -0.00    -0.05  -0.02  -0.00
     3   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.04  -0.00    -0.01  -0.05  -0.00     0.01   0.03   0.00
     8   6    -0.03   0.02   0.00    -0.04   0.03   0.00     0.02  -0.02  -0.00
     9   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.01   0.05  -0.00    -0.00  -0.03   0.00     0.00   0.03  -0.00
    12   6    -0.05  -0.01   0.00     0.03   0.01  -0.00    -0.03  -0.01   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.30  -0.08  -0.10     0.38  -0.10  -0.13    -0.24   0.07   0.08
    15   1     0.05  -0.18   0.10     0.07  -0.22   0.12    -0.04   0.14  -0.08
    16   1     0.19   0.25   0.10     0.24   0.32   0.13    -0.15  -0.20  -0.08
    17   1    -0.06   0.17  -0.10    -0.08   0.22  -0.13     0.05  -0.14   0.08
    18   1     0.12  -0.45   0.15    -0.06   0.22  -0.08     0.05  -0.21   0.07
    19   1    -0.18  -0.20  -0.14     0.09   0.10   0.07    -0.09  -0.09  -0.07
    20   1     0.47  -0.06  -0.16    -0.23   0.03   0.08     0.22  -0.03  -0.07
    21   1     0.17   0.21   0.15    -0.09  -0.10  -0.07     0.08   0.10   0.07
    22   1    -0.03  -0.03  -0.02     0.23   0.23   0.11     0.32   0.32   0.15
    23   1    -0.03   0.01   0.02     0.19  -0.04  -0.10     0.26  -0.06  -0.14
    24   1     0.02  -0.05   0.02    -0.13   0.30  -0.11    -0.18   0.42  -0.15
    25   1     0.03  -0.01  -0.02    -0.19   0.03   0.10    -0.27   0.05   0.14
    26   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.01  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.01   0.01   0.00    -0.00  -0.01  -0.00     0.00   0.01   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    34   1     0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.01  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    36   1    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3127.2569              3127.3503              3127.6214
 Red. masses --      1.1101                 1.1102                 1.1101
 Frc consts  --      6.3967                 6.3972                 6.3980
 IR Inten    --      1.0789                 3.9465                 4.4449
 RamAct Fr= 1--     65.3723                42.0267                36.8441
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      9.3389                 6.0037                 5.2634
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--    -43.2022               -28.1031               -24.9269
 Delta2 Fr= 1--     -6.6573                -4.3398                -3.9083
 Raman1 Fr= 1--     261.489                168.107                147.376
 ROA1   Fr= 1--   -4360.442              -2836.765              -2518.051
 CID1   Fr= 1--     -16.675                -16.875                -17.086
 Raman2 Fr= 1--     112.066                 72.044                 63.160
 ROA2   Fr= 1--    -983.594               -639.755               -566.980
 CID2   Fr= 1--      -8.777                 -8.880                 -8.977
 Raman3 Fr= 1--     224.132                144.088                126.321
 ROA3   Fr= 1--   -4360.442              -2836.765              -2518.051
 CID3   Fr= 1--     -19.455                -19.688                -19.934
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.05   0.04   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.06  -0.02   0.01
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.02   0.00     0.01   0.06  -0.01    -0.00  -0.01   0.00
     8   6     0.02  -0.02   0.00    -0.05   0.04  -0.01     0.01  -0.01   0.00
     9   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.02  -0.06  -0.01    -0.01  -0.02  -0.00     0.00   0.01   0.00
    12   6    -0.06  -0.02  -0.01    -0.02  -0.01  -0.00     0.01   0.00   0.00
    13   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.16   0.04   0.05     0.42  -0.11  -0.14    -0.05   0.01   0.02
    15   1    -0.05   0.15  -0.08     0.13  -0.40   0.23    -0.02   0.05  -0.03
    16   1     0.10   0.13   0.05    -0.26  -0.34  -0.14     0.03   0.04   0.02
    17   1    -0.05   0.14  -0.08     0.14  -0.39   0.22    -0.02   0.05  -0.03
    18   1    -0.11   0.42  -0.15    -0.04   0.15  -0.05     0.01  -0.04   0.01
    19   1     0.28   0.31   0.23     0.10   0.11   0.08    -0.03  -0.03  -0.02
    20   1     0.43  -0.05  -0.14     0.15  -0.02  -0.05    -0.05   0.01   0.02
    21   1     0.26   0.32   0.22     0.09   0.11   0.08    -0.03  -0.03  -0.02
    22   1     0.02   0.01   0.01     0.05   0.05   0.02     0.32   0.32   0.15
    23   1     0.02  -0.00  -0.01     0.06  -0.01  -0.04     0.43  -0.10  -0.24
    24   1     0.01  -0.02   0.01     0.02  -0.06   0.02     0.18  -0.42   0.15
    25   1     0.02  -0.00  -0.01     0.06  -0.01  -0.03     0.43  -0.08  -0.24
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.00   0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    32   1    -0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   1     0.00  -0.01   0.00     0.00   0.02  -0.01    -0.00  -0.00   0.00
    35   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    36   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    37   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.9158              3432.0260              3433.1910
 Red. masses --      1.0523                 1.0523                 1.0528
 Frc consts  --      7.3022                 7.3027                 7.3109
 IR Inten    --     50.8998                48.8915                72.3742
 RamAct Fr= 1--      9.8628                 9.2479                 6.2742
  Dep-P Fr= 1--      0.6869                 0.7474                 0.7496
  Dep-U Fr= 1--      0.8144                 0.8554                 0.8569
 Alpha2 Fr= 1--      0.0109                 0.0004                 0.0000
 Beta2  Fr= 1--      1.3387                 1.3185                 0.8960
 AlphaG Fr= 1--      0.0017                 0.0002                -0.0000
 Gamma2 Fr= 1--     13.9947                13.6612                -3.4671
 Delta2 Fr= 1--      0.9038                 0.5715                -0.0710
 Raman1 Fr= 1--      39.451                 36.992                 25.097
 ROA1   Fr= 1--    1372.411               1329.761               -335.115
 CID1   Fr= 1--      34.788                 35.948                -13.353
 Raman2 Fr= 1--      16.065                 15.822                 10.753
 ROA2   Fr= 1--     328.642                323.296                -82.642
 CID2   Fr= 1--      20.457                 20.433                 -7.686
 Raman3 Fr= 1--      32.130                 31.644                 21.505
 ROA3   Fr= 1--    1372.411               1329.761               -335.115
 CID3   Fr= 1--      42.715                 42.022                -15.583
 RC180  Fr= 1--       0.629                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   7    -0.03   0.01  -0.02     0.00  -0.00   0.00    -0.03   0.01  -0.02
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.00   0.00    -0.03   0.00  -0.02    -0.02   0.00  -0.01
     6   7     0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00   0.01   0.01    -0.01   0.02   0.02     0.00  -0.00  -0.00
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02     0.01   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.02   0.02    -0.01  -0.01   0.01     0.02   0.02  -0.02
    14   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    22   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    23   1     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.05   0.02   0.01     0.41  -0.13  -0.08     0.26  -0.08  -0.05
    27   1     0.01  -0.01  -0.04    -0.05   0.07   0.37    -0.03   0.04   0.23
    28   1     0.46  -0.04  -0.09    -0.06   0.01   0.01     0.48  -0.04  -0.09
    29   1    -0.08  -0.05   0.41     0.01   0.01  -0.05    -0.08  -0.05   0.41
    30   1     0.24   0.22   0.06     0.21   0.19   0.05    -0.35  -0.32  -0.09
    31   1    -0.06  -0.01  -0.28    -0.05  -0.01  -0.25     0.09   0.01   0.40
    32   1     0.10   0.14   0.03    -0.22  -0.32  -0.07    -0.08  -0.11  -0.03
    33   1     0.00  -0.03  -0.15    -0.00   0.07   0.34    -0.00   0.02   0.11
    34   1    -0.08   0.35  -0.07     0.03  -0.15   0.03     0.01  -0.07   0.01
    35   1    -0.03  -0.06   0.31     0.01   0.03  -0.13     0.01   0.01  -0.07
    36   1     0.10  -0.22   0.05     0.14  -0.29   0.06    -0.02   0.05  -0.01
    37   1    -0.04   0.02  -0.22    -0.05   0.03  -0.28     0.01  -0.00   0.03
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.3452              3433.4408              3435.2884
 Red. masses --      1.0530                 1.0528                 1.0527
 Frc consts  --      7.3130                 7.3126                 7.3198
 IR Inten    --     16.8195                53.0647                 0.1413
 RamAct Fr= 1--     12.6107                 8.6749               399.0408
  Dep-P Fr= 1--      0.7397                 0.7121                 0.0043
  Dep-U Fr= 1--      0.8504                 0.8318                 0.0085
 Alpha2 Fr= 1--      0.0022                 0.0057                 8.7799
 Beta2  Fr= 1--      1.7873                 1.2027                 0.5635
 AlphaG Fr= 1--      0.0009                 0.0022                 2.4542
 Gamma2 Fr= 1--     -7.3271                -5.2359               -15.0278
 Delta2 Fr= 1--     -0.4325                -0.4456                -1.5324
 Raman1 Fr= 1--      50.443                 34.700               1596.163
 ROA1   Fr= 1--    -717.246               -516.910              -1491.703
 CID1   Fr= 1--     -14.219                -14.897                 -0.935
 Raman2 Fr= 1--      21.448                 14.432                  6.762
 ROA2   Fr= 1--    -172.391               -122.098               -348.407
 CID2   Fr= 1--      -8.038                 -8.460                -51.525
 Raman3 Fr= 1--      42.896                 28.864                 13.524
 ROA3   Fr= 1--    -717.246               -516.910              -1491.703
 CID3   Fr= 1--     -16.721                -17.908               -110.301
 RC180  Fr= 1--       0.701                  0.664                 -0.983
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   7    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.02  -0.00   0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.03   0.00  -0.02     0.00  -0.00   0.00    -0.02   0.00  -0.01
     6   7     0.00  -0.00  -0.00     0.01  -0.03  -0.03     0.01  -0.02  -0.01
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   7     0.01  -0.03  -0.02     0.00  -0.01  -0.01    -0.01   0.02   0.02
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02    -0.01  -0.01   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.01   0.01     0.00   0.00  -0.00     0.01   0.01  -0.01
    14   1    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    19   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1     0.43  -0.14  -0.08    -0.01   0.00   0.00     0.29  -0.09  -0.06
    27   1    -0.05   0.07   0.38     0.00  -0.00  -0.02    -0.03   0.04   0.25
    28   1     0.01  -0.00  -0.00    -0.10   0.01   0.02    -0.29   0.02   0.05
    29   1    -0.00  -0.00   0.01     0.02   0.01  -0.10     0.04   0.03  -0.24
    30   1     0.17   0.16   0.04    -0.05  -0.04  -0.01    -0.22  -0.20  -0.06
    31   1    -0.04  -0.00  -0.21     0.01   0.00   0.04     0.05   0.01   0.24
    32   1     0.14   0.20   0.05    -0.25  -0.36  -0.08     0.18   0.26   0.06
    33   1     0.00  -0.05  -0.22    -0.00   0.08   0.37     0.00  -0.06  -0.26
    34   1    -0.01   0.05  -0.01    -0.12   0.54  -0.10    -0.07   0.30  -0.06
    35   1    -0.00  -0.01   0.04    -0.04  -0.09   0.46    -0.02  -0.05   0.25
    36   1    -0.20   0.43  -0.09    -0.09   0.20  -0.04     0.14  -0.30   0.06
    37   1     0.08  -0.04   0.41     0.04  -0.02   0.18    -0.05   0.03  -0.27
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.5121              3480.6768              3481.2609
 Red. masses --      1.0928                 1.0928                 1.0928
 Frc consts  --      7.8000                 7.8001                 7.8028
 IR Inten    --      5.8664                11.4175                17.3769
 RamAct Fr= 1--      4.8958                 2.3749                10.6705
  Dep-P Fr= 1--      0.7492                 0.7500                 0.7476
  Dep-U Fr= 1--      0.8566                 0.8571                 0.8556
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0004
 Beta2  Fr= 1--      0.6990                 0.3393                 1.5216
 AlphaG Fr= 1--     -0.0004                -0.0000                -0.0024
 Gamma2 Fr= 1--    -10.4371                -6.1298                -6.1200
 Delta2 Fr= 1--      0.3673                -0.5791                11.1791
 Raman1 Fr= 1--      19.583                  9.499                 42.682
 ROA1   Fr= 1--    -990.203               -606.990               -229.787
 CID1   Fr= 1--     -50.563                -63.897                 -5.384
 Raman2 Fr= 1--       8.388                  4.071                 18.259
 ROA2   Fr= 1--    -253.428               -142.482               -236.312
 CID2   Fr= 1--     -30.213                -34.998                -12.942
 Raman3 Fr= 1--      16.776                  8.142                 36.518
 ROA3   Fr= 1--    -990.203               -606.990               -229.787
 CID3   Fr= 1--     -59.025                -74.547                 -6.293
 RC180  Fr= 1--       0.713                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7     0.03   0.00  -0.04    -0.02  -0.00   0.02    -0.03  -0.00   0.03
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.02   0.01   0.02    -0.02   0.01   0.03    -0.01   0.01   0.02
     6   7     0.00  -0.01   0.01    -0.00   0.02  -0.03     0.00  -0.02   0.02
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.03     0.01  -0.01   0.02    -0.01   0.02  -0.02
    10   7     0.00   0.00   0.01    -0.01  -0.03  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7    -0.02  -0.02  -0.03     0.00   0.00   0.00    -0.03  -0.02  -0.04
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.01   0.01   0.01     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.01   0.00   0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    26   1     0.23  -0.07  -0.03     0.31  -0.10  -0.05     0.19  -0.06  -0.03
    27   1     0.02  -0.04  -0.28     0.03  -0.06  -0.38     0.02  -0.03  -0.22
    28   1    -0.40   0.03   0.06     0.20  -0.02  -0.03     0.32  -0.03  -0.05
    29   1    -0.06  -0.05   0.45     0.03   0.03  -0.23     0.05   0.04  -0.36
    30   1     0.25   0.23   0.05    -0.02  -0.02  -0.00     0.31   0.28   0.06
    31   1     0.07  -0.00   0.39    -0.01   0.00  -0.03     0.08  -0.00   0.47
    32   1    -0.03  -0.05  -0.01     0.21   0.30   0.05    -0.01  -0.01  -0.00
    33   1     0.00  -0.01  -0.07    -0.01   0.07   0.42     0.00  -0.00  -0.01
    34   1    -0.02   0.08  -0.01     0.06  -0.29   0.04    -0.04   0.18  -0.03
    35   1     0.01   0.01  -0.10    -0.03  -0.05   0.34     0.02   0.03  -0.22
    36   1    -0.12   0.26  -0.04    -0.09   0.19  -0.03     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.32    -0.04   0.01  -0.24     0.05  -0.02   0.30
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3481.4209              3482.6859              3483.3025
 Red. masses --      1.0927                 1.0926                 1.0920
 Frc consts  --      7.8030                 7.8077                 7.8068
 IR Inten    --     22.6433               144.8284                 0.2839
 RamAct Fr= 1--      8.3293                 0.2405               129.2830
  Dep-P Fr= 1--      0.7486                 0.5922                 0.6903
  Dep-U Fr= 1--      0.8562                 0.7439                 0.8168
 Alpha2 Fr= 1--      0.0002                 0.0007                 0.1352
 Beta2  Fr= 1--      1.1886                 0.0298                17.5996
 AlphaG Fr= 1--     -0.0017                -0.0021                -0.7841
 Gamma2 Fr= 1--     -1.8247                 0.0899                37.9237
 Delta2 Fr= 1--     10.4503                -0.0223               -25.1574
 Raman1 Fr= 1--      33.317                  0.962                517.132
 ROA1   Fr= 1--     159.239                  7.920               2835.642
 CID1   Fr= 1--       4.779                  8.232                  5.483
 Raman2 Fr= 1--      14.263                  0.358                211.195
 ROA2   Fr= 1--    -127.396                  2.336               1111.428
 CID2   Fr= 1--      -8.932                  6.529                  5.263
 Raman3 Fr= 1--      28.526                  0.716                422.390
 ROA3   Fr= 1--     159.239                  7.920               2835.642
 CID3   Fr= 1--       5.582                 11.066                  6.713
 RC180  Fr= 1--       0.712                  0.488                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   7    -0.01  -0.00   0.01     0.02   0.00  -0.02     0.02   0.00  -0.02
     4  45    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.02  -0.01  -0.03     0.02  -0.01  -0.02    -0.02   0.01   0.02
     6   7     0.00  -0.03   0.03    -0.00   0.02  -0.03     0.00  -0.02   0.03
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.02    -0.01   0.02  -0.03    -0.01   0.02  -0.03
    10   7    -0.01  -0.03  -0.03    -0.01  -0.02  -0.03    -0.01  -0.02  -0.03
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.01    -0.02  -0.01  -0.03     0.02   0.01   0.02
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01  -0.01     0.00  -0.01   0.01    -0.00   0.01  -0.00
    18   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    26   1    -0.30   0.10   0.04    -0.22   0.07   0.03     0.22  -0.07  -0.03
    27   1    -0.03   0.05   0.36    -0.02   0.05   0.29     0.02  -0.04  -0.28
    28   1     0.10  -0.01  -0.01    -0.22   0.02   0.03    -0.23   0.02   0.03
    29   1     0.01   0.01  -0.11    -0.04  -0.03   0.26    -0.04  -0.03   0.28
    30   1     0.07   0.07   0.01     0.19   0.17   0.03    -0.17  -0.15  -0.03
    31   1     0.02  -0.00   0.11     0.05  -0.00   0.31    -0.05   0.00  -0.28
    32   1     0.20   0.29   0.05     0.15   0.21   0.04     0.16   0.23   0.04
    33   1    -0.01   0.07   0.40    -0.01   0.05   0.31    -0.01   0.06   0.34
    34   1    -0.07   0.33  -0.05     0.06  -0.29   0.04    -0.06   0.26  -0.04
    35   1     0.04   0.06  -0.38    -0.03  -0.05   0.37     0.03   0.05  -0.33
    36   1    -0.11   0.24  -0.04     0.11  -0.24   0.04     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.30     0.05  -0.02   0.31     0.05  -0.02   0.34

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2615.131202615.504363783.53931
           X            0.99999   0.00483  -0.00000
           Y           -0.00483   0.99999  -0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03312     0.03312     0.02289
 Rotational constants (GHZ):           0.69011     0.69002     0.47700
 Zero-point vibrational energy     925907.1 (Joules/Mol)
                                  221.29712 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.10   118.20   128.94   209.26   210.18
          (Kelvin)            240.74   313.12   316.45   324.91   362.40
                              416.54   417.44   448.76   477.78   478.85
                              578.84   579.97   580.63   664.81   665.82
                              727.66   752.77   803.41   804.57   972.86
                              973.22  1027.22  1079.69  1079.91  1097.59
                             1245.36  1245.43  1248.00  1252.85  1255.61
                             1255.78  1413.26  1414.68  1414.99  1434.21
                             1434.86  1452.72  1507.14  1507.27  1511.86
                             1594.83  1608.13  1609.00  1685.92  1686.46
                             1716.53  1763.58  1764.16  1794.26  1857.63
                             1857.67  1864.70  1916.23  1916.56  1930.01
                             1936.97  1940.13  1940.20  2020.80  2022.24
                             2022.50  2076.36  2076.80  2081.31  2162.01
                             2162.37  2162.52  2162.94  2163.31  2163.86
                             2365.02  2384.34  2385.20  2387.58  2399.19
                             2400.00  4418.49  4418.67  4419.34  4425.72
                             4425.95  4426.36  4484.18  4484.30  4484.63
                             4499.43  4499.56  4499.95  4937.76  4937.92
                             4939.60  4939.82  4939.96  4942.61  5007.68
                             5007.92  5008.76  5008.99  5010.81  5011.70
 
 Zero-point correction=                           0.352659 (Hartree/Particle)
 Thermal correction to Energy=                    0.367690
 Thermal correction to Enthalpy=                  0.368634
 Thermal correction to Gibbs Free Energy=         0.312034
 Sum of electronic and zero-point Energies=           -681.282277
 Sum of electronic and thermal Energies=              -681.267247
 Sum of electronic and thermal Enthalpies=            -681.266303
 Sum of electronic and thermal Free Energies=         -681.322903
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.729             60.543            119.125
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.626
 Vibrational            228.951             54.582             44.679
 Vibration     1          0.600              1.963              3.908
 Vibration     2          0.600              1.961              3.839
 Vibration     3          0.602              1.957              3.668
 Vibration     4          0.617              1.908              2.731
 Vibration     5          0.617              1.907              2.723
 Vibration     6          0.624              1.883              2.465
 Vibration     7          0.646              1.814              1.979
 Vibration     8          0.647              1.811              1.960
 Vibration     9          0.650              1.802              1.912
 Vibration    10          0.664              1.760              1.717
 Vibration    11          0.686              1.693              1.477
 Vibration    12          0.686              1.692              1.473
 Vibration    13          0.700              1.651              1.352
 Vibration    14          0.714              1.611              1.250
 Vibration    15          0.715              1.610              1.246
 Vibration    16          0.768              1.465              0.954
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.769              1.462              0.950
 Vibration    19          0.820              1.334              0.760
 Vibration    20          0.820              1.333              0.758
 Vibration    21          0.861              1.237              0.644
 Vibration    22          0.878              1.199              0.603
 Vibration    23          0.914              1.121              0.527
 Vibration    24          0.915              1.120              0.525
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.298277-143       -143.525381       -330.479402
 Total V=0       0.485893D+19         18.686540         43.027349
 Vib (Bot)       0.874804-158       -158.058089       -363.942200
 Vib (Bot)    1  0.259709D+01          0.414487          0.954391
 Vib (Bot)    2  0.250608D+01          0.398995          0.918721
 Vib (Bot)    3  0.229433D+01          0.360656          0.830441
 Vib (Bot)    4  0.139595D+01          0.144871          0.333577
 Vib (Bot)    5  0.138956D+01          0.142877          0.328988
 Vib (Bot)    6  0.120546D+01          0.081151          0.186857
 Vib (Bot)    7  0.909797D+00         -0.041056         -0.094534
 Vib (Bot)    8  0.899361D+00         -0.046066         -0.106071
 Vib (Bot)    9  0.873766D+00         -0.058605         -0.134943
 Vib (Bot)   10  0.774156D+00         -0.111172         -0.255982
 Vib (Bot)   11  0.660713D+00         -0.179987         -0.414435
 Vib (Bot)   12  0.659060D+00         -0.181075         -0.416941
 Vib (Bot)   13  0.605579D+00         -0.217829         -0.501570
 Vib (Bot)   14  0.561943D+00         -0.250308         -0.576356
 Vib (Bot)   15  0.560430D+00         -0.251479         -0.579051
 Vib (Bot)   16  0.442279D+00         -0.354303         -0.815814
 Vib (Bot)   17  0.441159D+00         -0.355405         -0.818349
 Vib (Bot)   18  0.440512D+00         -0.356042         -0.819817
 Vib (Bot)   19  0.367474D+00         -0.434773         -1.001102
 Vib (Bot)   20  0.366702D+00         -0.435687         -1.003207
 Vib (Bot)   21  0.323308D+00         -0.490384         -1.129150
 Vib (Bot)   22  0.307608D+00         -0.512003         -1.178930
 Vib (Bot)   23  0.278770D+00         -0.554754         -1.277369
 Vib (Bot)   24  0.278152D+00         -0.555717         -1.279586
 Vib (V=0)       0.142506D+05          4.153832          9.564552
 Vib (V=0)    1  0.314478D+01          0.497590          1.145744
 Vib (V=0)    2  0.305548D+01          0.485079          1.116935
 Vib (V=0)    3  0.284818D+01          0.454567          1.046680
 Vib (V=0)    4  0.198280D+01          0.297278          0.684508
 Vib (V=0)    5  0.197678D+01          0.295958          0.681469
 Vib (V=0)    6  0.180504D+01          0.256486          0.590581
 Vib (V=0)    7  0.153814D+01          0.186995          0.430572
 Vib (V=0)    8  0.152900D+01          0.184409          0.424617
 Vib (V=0)    9  0.150671D+01          0.178030          0.409929
 Vib (V=0)   10  0.142158D+01          0.152773          0.351772
 Vib (V=0)   11  0.132858D+01          0.123387          0.284109
 Vib (V=0)   12  0.132726D+01          0.122956          0.283117
 Vib (V=0)   13  0.128532D+01          0.109011          0.251007
 Vib (V=0)   14  0.125218D+01          0.097668          0.224889
 Vib (V=0)   15  0.125105D+01          0.097276          0.223986
 Vib (V=0)   16  0.116754D+01          0.067272          0.154900
 Vib (V=0)   17  0.116680D+01          0.066996          0.154264
 Vib (V=0)   18  0.116637D+01          0.066837          0.153898
 Vib (V=0)   19  0.112051D+01          0.049417          0.113787
 Vib (V=0)   20  0.112006D+01          0.049240          0.113379
 Vib (V=0)   21  0.109542D+01          0.039582          0.091140
 Vib (V=0)   22  0.108705D+01          0.036248          0.083463
 Vib (V=0)   23  0.107246D+01          0.030382          0.069957
 Vib (V=0)   24  0.107216D+01          0.030260          0.069677
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.182104D+07          6.260319         14.414918
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000006233    0.000003792    0.000013588
      2        6           0.000003663   -0.000022719    0.000009299
      3        7           0.000016343   -0.000009128    0.000049379
      4       45           0.000039110   -0.000051583   -0.000155007
      5        7           0.000040785   -0.000006110    0.000005553
      6        7           0.000004408    0.000051506    0.000029114
      7        6           0.000003792    0.000000458    0.000019055
      8        6          -0.000007472    0.000016456   -0.000001446
      9        7          -0.000023816    0.000059023    0.000043525
     10        7          -0.000003878   -0.000037462    0.000058952
     11        6          -0.000027452   -0.000006994    0.000040184
     12        6          -0.000019286   -0.000022559    0.000041811
     13        7           0.000004558   -0.000033502   -0.000013665
     14        1          -0.000000986   -0.000000830   -0.000001116
     15        1          -0.000024741    0.000020333   -0.000000892
     16        1           0.000000146   -0.000002592   -0.000000369
     17        1          -0.000018254   -0.000012697   -0.000008347
     18        1           0.000001830    0.000002303    0.000003182
     19        1          -0.000011340   -0.000020433   -0.000006881
     20        1           0.000000357    0.000001881    0.000002761
     21        1           0.000023155    0.000011700    0.000010013
     22        1          -0.000003201    0.000002074   -0.000005230
     23        1          -0.000000702   -0.000007617   -0.000018032
     24        1          -0.000001547   -0.000001040   -0.000004740
     25        1           0.000002588    0.000020177   -0.000002535
     26        1           0.000026413   -0.000010103   -0.000020290
     27        1           0.000002919   -0.000003638   -0.000010193
     28        1          -0.000023652   -0.000015070   -0.000019364
     29        1          -0.000005767    0.000006730   -0.000015040
     30        1          -0.000001896    0.000002553   -0.000010133
     31        1           0.000001823   -0.000023410    0.000004615
     32        1          -0.000015722    0.000029103   -0.000023818
     33        1           0.000003312   -0.000000904    0.000007734
     34        1          -0.000004599   -0.000001203    0.000008627
     35        1          -0.000001175    0.000026598   -0.000005987
     36        1           0.000008166    0.000046545   -0.000024386
     37        1           0.000005884   -0.000011638    0.000000077
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000155007 RMS     0.000024744
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150794D+03 -0.444950D-01  0.198007D-03
      2  -0.444950D-01  0.150836D+03 -0.117160D-01
      3   0.198007D-03 -0.117160D-01  0.124926D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.670759D+00  0.859960D-01  0.894566D-01
      2   0.666268D-01 -0.679131D+00  0.754142D-01
      3  -0.711352D-01 -0.114646D+00 -0.370382D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.557005D+02  0.832519D+02  0.850779D-01
      2  -0.557772D+02 -0.832490D+02 -0.739895D-01
      3   0.767719D-01 -0.286188D-02 -0.110884D-01
      4   0.832154D+02 -0.557099D+02  0.106034D-01
      5  -0.499096D-01  0.426692D+01  0.124232D+00
      6  -0.420274D+01 -0.310635D-01 -0.107457D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.298116D+01 -0.883660D+00 -0.262066D+01 -0.102777D+01 -0.279772D+01
      2  -0.883660D+00 -0.460382D+01  0.118422D+01 -0.279772D+01  0.584756D+01
      3  -0.262066D+01  0.118422D+01  0.870168D+00  0.430170D+00 -0.328284D+01
                 6             7             8             9            10 
      1   0.430170D+00 -0.197139D+01  0.636599D+00  0.961917D+00 -0.154342D+01
      2  -0.328284D+01  0.636599D+00 -0.292331D+01  0.953228D+00  0.361506D+01
      3   0.721937D+00  0.961917D+00  0.953228D+00  0.693535D+00  0.329703D+01
                11            12            13            14            15 
      1   0.361506D+01  0.329703D+01  0.279542D+01  0.327645D+01  0.403905D+00
      2   0.484696D+01  0.111304D+01  0.327645D+01  0.941107D+00  0.262527D+01
      3   0.111304D+01 -0.549199D+00  0.403905D+00  0.262527D+01  0.999626D+00
                16            17            18            19            20 
      1   0.257045D+01  0.771427D+00 -0.551294D+00  0.323415D+00 -0.239558D+01
      2   0.771427D+00  0.237939D+01  0.118553D+01 -0.239558D+01 -0.302268D+01
      3  -0.551294D+00  0.118553D+01 -0.736944D+00 -0.206472D+01 -0.102372D+01
                21            22            23            24            25 
      1  -0.206472D+01 -0.395118D+01 -0.536789D+01 -0.219446D+01 -0.266900D+01
      2  -0.102372D+01 -0.536789D+01 -0.582994D+01 -0.457587D+01 -0.154260D+01
      3  -0.133322D+01 -0.219446D+01 -0.457587D+01 -0.232911D+01 -0.159950D+01
                26            27            28            29            30 
      1  -0.154260D+01 -0.159950D+01 -0.108872D+01 -0.156089D+01 -0.612894D-02
      2  -0.307738D+01 -0.188316D+01 -0.156089D+01  0.100656D+01 -0.189681D+01
      3  -0.188316D+01  0.126808D+01 -0.612894D-02 -0.189681D+01 -0.374704D-02
                31            32            33            34            35 
      1  -0.157446D+01  0.101274D+01  0.187944D+01  0.507512D-03 -0.957522D-02
      2   0.101274D+01  0.155616D+01 -0.210327D-01 -0.957522D-02 -0.121831D-01
      3   0.187944D+01 -0.210327D-01  0.379212D-02 -0.113991D-01 -0.860871D-02
                36            37            38            39            40 
      1  -0.113991D-01 -0.153555D+01  0.731493D+00  0.128251D+01  0.239391D+00
      2  -0.860871D-02  0.731493D+00  0.281155D+00  0.374899D+00  0.309197D+01
      3  -0.846097D-02  0.128251D+01  0.374899D+00  0.337559D+00 -0.836609D+00
                41            42            43            44            45 
      1   0.309197D+01 -0.836609D+00  0.160448D+01 -0.924051D+00  0.756646D+00
      2  -0.102225D+02  0.535874D+01 -0.924051D+00  0.409099D+01 -0.231286D+01
      3   0.535874D+01 -0.264271D+01  0.756646D+00 -0.231286D+01 -0.126806D+01
                46            47            48            49            50 
      1   0.406442D+01  0.507415D+01  0.414744D+01  0.291062D+01  0.340540D+01
      2   0.507415D+01  0.529900D+01  0.247810D+01  0.340540D+01  0.103731D+01
      3   0.414744D+01  0.247810D+01  0.214556D+01  0.128532D+01  0.251107D+01
                51            52            53            54            55 
      1   0.128532D+01  0.270195D+01  0.155064D+01  0.164869D+01  0.259179D+00
      2   0.251107D+01  0.155064D+01  0.307322D+01  0.183978D+01 -0.237974D+01
      3   0.161337D+01  0.164869D+01  0.183978D+01 -0.124674D+01 -0.242653D+01
                56            57            58            59            60 
      1  -0.237974D+01 -0.242653D+01 -0.375993D+01 -0.467897D+01 -0.100571D+01
      2  -0.367294D+01 -0.291217D+00 -0.467897D+01  0.318505D-01 -0.352107D+01
      3  -0.291217D+00 -0.105338D+01 -0.100571D+01 -0.352107D+01  0.436926D+00
                61            62            63            64            65 
      1  -0.210503D+01 -0.714922D+00 -0.124901D+01 -0.698798D+01  0.157998D+01
      2  -0.714922D+00 -0.276387D+01  0.374236D+00  0.157998D+01  0.198066D+01
      3  -0.124901D+01  0.374236D+00  0.729300D+00  0.346672D+01 -0.322498D+00
                66            67            68            69            70 
      1   0.346672D+01  0.347361D+01  0.207486D+01 -0.112379D+01  0.308281D+01
      2  -0.322498D+00  0.207486D+01 -0.243345D+01  0.246945D+01 -0.505621D+00
      3  -0.604768D+00 -0.112379D+01  0.246945D+01 -0.963313D+00 -0.825852D+00
                71            72            73            74            75 
      1  -0.505621D+00 -0.825852D+00  0.107925D+02 -0.147826D+01 -0.536183D+01
      2   0.183723D+01 -0.107000D+01 -0.147826D+01 -0.101807D+01  0.297880D+00
      3  -0.107000D+01 -0.691887D+00 -0.536183D+01  0.297880D+00  0.267037D+01
                76            77            78            79            80 
      1   0.130028D+01 -0.113047D+01 -0.880614D+00 -0.433318D+01  0.567510D+00
      2  -0.113047D+01  0.118050D+01 -0.130531D+01  0.567510D+00 -0.141141D+01
      3  -0.880614D+00 -0.130531D+01  0.606768D-02  0.241462D+01 -0.442223D+00
                81            82            83            84            85 
      1   0.241462D+01 -0.510376D+00  0.171440D+01 -0.254445D+01  0.472443D+00
      2  -0.442223D+00  0.171440D+01 -0.655659D+01  0.248203D+01 -0.401510D+01
      3   0.124357D+01 -0.254445D+01  0.248203D+01 -0.136079D+01  0.129502D+01
                86            87            88            89            90 
      1  -0.401510D+01  0.129502D+01 -0.163100D+01  0.982713D+00 -0.833159D+00
      2   0.672408D+01 -0.406858D+01  0.982713D+00 -0.412788D+01  0.231958D+01
      3  -0.406858D+01  0.228063D+01 -0.833159D+00  0.231958D+01  0.123596D+01
                91            92            93            94            95 
      1  -0.120866D+01  0.153044D+01  0.214094D+01  0.508047D+00  0.441533D+01
      2   0.153044D+01  0.292137D+01  0.213584D+00  0.441533D+01 -0.530169D+01
      3   0.214094D+01  0.213584D+00  0.115060D+01 -0.492637D+00  0.382196D+01
                96            97            98            99           100 
      1  -0.492637D+00  0.174257D+01 -0.352326D+00  0.131566D+01  0.662091D+01
      2   0.382196D+01 -0.352326D+00  0.319495D+01 -0.160810D+00 -0.318895D+01
      3  -0.464568D-01  0.131566D+01 -0.160810D+00 -0.660147D+00 -0.381894D+01
               101           102           103           104           105 
      1  -0.318895D+01 -0.381894D+01 -0.152489D+01 -0.247095D+01 -0.472378D+00
      2  -0.168889D+01  0.268328D+00 -0.247095D+01  0.617266D+00 -0.214575D+01
      3   0.268328D+00  0.190558D+00 -0.472378D+00 -0.214575D+01 -0.113373D+01
               106           107           108           109           110 
      1  -0.322898D+01  0.145455D+00  0.352031D+00 -0.859255D+01  0.318066D+01
      2   0.145455D+00 -0.168909D+01 -0.128340D+01  0.318066D+01  0.451601D+00
      3   0.352031D+00 -0.128340D+01  0.658119D+00  0.457645D+01 -0.105797D+01
               111           112           113           114           115 
      1   0.457645D+01  0.579892D+01 -0.463986D+00 -0.219995D+01  0.427355D+01
      2  -0.105797D+01 -0.463986D+00  0.239583D+00  0.207556D+01 -0.611693D+00
      3  -0.246868D+01 -0.219995D+01  0.207556D+01  0.102701D+01 -0.240322D+01
               116           117           118           119           120 
      1  -0.611693D+00 -0.240322D+01  0.108192D+02  0.606846D-01 -0.286652D+01
      2   0.141157D+01  0.508849D+00  0.606846D-01  0.996353D+00  0.507408D-01
      3   0.508849D+00 -0.123085D+01 -0.286652D+01  0.507408D-01  0.200151D+01
               121           122           123           124           125 
      1  -0.217442D+01  0.118920D+01  0.872778D+00 -0.293953D+01  0.599259D-01
      2   0.118920D+01  0.132127D+00 -0.791995D+00  0.599259D-01 -0.507802D+00
      3   0.872778D+00 -0.791995D+00 -0.269394D+00  0.249605D+01  0.164010D+00
               126           127           128           129           130 
      1   0.249605D+01 -0.709430D-01  0.697111D+00 -0.872914D+00  0.100921D+01
      2   0.164010D+00  0.697111D+00 -0.673165D+00  0.220910D+00  0.463007D+00
      3  -0.149844D+01 -0.872914D+00  0.220910D+00 -0.341205D+00 -0.128138D+00
               131           132           133           134           135 
      1   0.463007D+00 -0.128138D+00 -0.124460D+01 -0.372579D+00  0.381435D+00
      2   0.475888D+01 -0.218471D+01 -0.372579D+00 -0.179315D+01  0.176133D+01
      3  -0.218471D+01  0.226519D+01  0.381435D+00  0.176133D+01 -0.219478D+01
               136           137           138           139           140 
      1   0.573880D+01  0.294411D+01  0.169308D+01  0.445425D+01  0.396730D+01
      2   0.294411D+01  0.250151D+01  0.739249D+00  0.396730D+01  0.426574D+01
      3   0.169308D+01  0.739249D+00  0.143388D+01  0.150568D+01  0.199504D+01
               141           142           143           144           145 
      1   0.150568D+01  0.198575D+01  0.118162D+01  0.206584D+01  0.205435D+01
      2   0.199504D+01  0.118162D+01  0.143998D+01  0.137278D+01 -0.108574D+01
      3   0.141697D+01  0.206584D+01  0.137278D+01  0.146023D+01  0.131756D+01
               146           147           148           149           150 
      1  -0.108574D+01  0.131756D+01 -0.203669D+01  0.162652D+01 -0.828092D+00
      2   0.928365D+00 -0.447417D+00  0.162652D+01 -0.298207D+01  0.174273D+01
      3  -0.447417D+00  0.109315D+01 -0.828092D+00  0.174273D+01 -0.201998D+01
               151           152           153           154           155 
      1   0.179660D+01 -0.346429D+00  0.136737D+01 -0.229583D+01  0.183566D+01
      2  -0.346429D+00  0.124966D+01 -0.116178D+01  0.183566D+01 -0.196682D+01
      3   0.136737D+01 -0.116178D+01  0.220353D+01 -0.936445D+00  0.339287D+00
               156           157           158           159           160 
      1  -0.936445D+00  0.272636D+01 -0.388675D+01  0.107810D+01 -0.110180D+01
      2   0.339287D+00 -0.388675D+01  0.846216D+01 -0.272926D+01  0.108354D+01
      3  -0.812920D+00  0.107810D+01 -0.272926D+01  0.185932D+01 -0.140136D+01
               161           162           163           164           165 
      1   0.108354D+01 -0.140136D+01 -0.376518D+01 -0.882274D+00 -0.185224D+01
      2  -0.237408D+01  0.208808D+01 -0.882274D+00 -0.921697D+00 -0.371524D+00
      3   0.208808D+01 -0.148954D+01 -0.185224D+01 -0.371524D+00 -0.175926D+01
               166           167           168           169           170 
      1  -0.198653D+01 -0.124370D+01 -0.743602D+00 -0.198073D+01 -0.324293D-01
      2  -0.124370D+01 -0.145032D+01 -0.124417D+01 -0.324293D-01 -0.107877D+01
      3  -0.743602D+00 -0.124417D+01 -0.140921D+01 -0.170026D+01 -0.560141D+00
               171           172           173           174           175 
      1  -0.170026D+01 -0.965332D+01  0.323024D+01  0.287810D+01  0.112402D+01
      2  -0.560141D+00  0.323024D+01 -0.203718D+01 -0.824089D+00 -0.141443D+01
      3  -0.223222D+01  0.287810D+01 -0.824089D+00 -0.193742D+01 -0.570078D-01
               176           177           178           179           180 
      1  -0.141443D+01 -0.570078D-01  0.263798D+01 -0.882260D+00 -0.226549D+01
      2   0.152987D+01  0.800508D+00 -0.882260D+00  0.855231D+00  0.111410D+01
      3   0.800508D+00  0.544343D+00 -0.226549D+01  0.111410D+01  0.150611D+01
               181           182           183           184           185 
      1   0.111611D+01  0.101657D+01  0.111650D+01  0.865595D+00  0.647799D+00
      2   0.101657D+01  0.179715D+01  0.647505D+00  0.647799D+00  0.416126D+01
      3   0.111650D+01  0.647505D+00  0.115916D+01  0.285237D+00  0.197808D+01
               186           187           188           189           190 
      1   0.285237D+00  0.107480D+01 -0.861497D-01  0.318273D+00 -0.297311D+01
      2   0.197808D+01 -0.861497D-01  0.197765D+01  0.176813D+01 -0.345554D+01
      3   0.194437D+01  0.318273D+00  0.176813D+01  0.222311D+01 -0.169232D+01
               191           192           193           194           195 
      1  -0.345554D+01 -0.169232D+01 -0.218932D+01 -0.286252D+01 -0.729186D+00
      2  -0.462604D+01 -0.149385D+01 -0.286252D+01 -0.702871D+01 -0.199157D+01
      3  -0.149385D+01 -0.121530D+01 -0.729186D+00 -0.199157D+01 -0.162276D+01
               196           197           198           199           200 
      1  -0.113794D+01 -0.106824D+01 -0.107637D+01  0.348830D+01 -0.159458D+01
      2  -0.106824D+01 -0.233902D+01 -0.222617D+01 -0.159458D+01  0.184275D+01
      3  -0.107637D+01 -0.222617D+01 -0.145792D+01 -0.187882D+01  0.745033D+00
               201           202           203           204           205 
      1  -0.187882D+01 -0.777160D+00  0.965576D+00  0.360237D+00 -0.135229D+01
      2   0.745033D+00  0.965576D+00 -0.150997D+01 -0.118442D+01  0.413956D+00
      3   0.213366D+01  0.360237D+00 -0.118442D+01 -0.815832D+00  0.133894D+01
               206           207           208           209           210 
      1   0.413956D+00  0.133894D+01  0.369949D+00 -0.159538D+01  0.934032D+00
      2  -0.172809D+01 -0.120067D+01 -0.159538D+01  0.311859D+01 -0.109961D+01
      3  -0.120067D+01 -0.220713D+01  0.934032D+00 -0.109961D+01  0.508885D+00
               211           212           213           214           215 
      1  -0.110189D+01  0.100392D+01 -0.310361D+00  0.548492D+00 -0.361569D+00
      2   0.100392D+01 -0.103807D+02  0.273027D+01 -0.361569D+00  0.288800D+01
      3  -0.310361D+00  0.273027D+01 -0.195275D+01  0.148958D+00 -0.249760D+01
               216           217           218           219           220 
      1   0.148958D+00 -0.460129D+01 -0.848829D+00  0.213730D+01  0.226796D+00
      2  -0.249760D+01 -0.848829D+00 -0.116658D+01  0.316407D+00 -0.707234D+00
      3   0.148953D+01  0.213730D+01  0.316407D+00 -0.227109D+01 -0.467235D-01
               221           222           223           224           225 
      1  -0.707234D+00 -0.467235D-01  0.167624D+01  0.421997D+00 -0.169282D+01
      2  -0.329939D+00  0.906338D+00  0.421997D+00  0.138208D+01 -0.620922D+00
      3   0.906338D+00  0.404802D-01 -0.169282D+01 -0.620922D+00  0.220812D+01
               226           227           228           229           230 
      1   0.495185D+01 -0.158657D+01  0.737706D+00 -0.192551D+01  0.868506D+00
      2  -0.158657D+01  0.292407D+01 -0.110091D+01  0.868506D+00 -0.281001D+00
      3   0.737706D+00 -0.110091D+01  0.122493D+01 -0.128160D+00 -0.682267D+00
               231           232           233           234           235 
      1  -0.128160D+00  0.121632D+00  0.848715D-01  0.585419D+00  0.627008D+00
      2  -0.682267D+00  0.848715D-01 -0.194649D+01  0.521692D+00 -0.366373D+00
      3  -0.322680D-01  0.585419D+00  0.521692D+00  0.212003D+00  0.674906D+00
               236           237           238           239           240 
      1  -0.366373D+00  0.674906D+00 -0.487211D+00 -0.493508D+00  0.242956D+00
      2  -0.101636D+01  0.323117D+00 -0.493508D+00  0.158068D+01 -0.295017D+00
      3   0.323117D+00 -0.180955D+00  0.242956D+00 -0.295017D+00  0.698280D+00
               241           242           243           244           245 
      1   0.917914D+00 -0.463281D-01  0.882367D+00 -0.623164D+01 -0.390579D+00
      2  -0.463281D-01  0.177395D+01 -0.105454D+01 -0.390579D+00 -0.187856D+01
      3   0.882367D+00 -0.105454D+01  0.689396D+01 -0.963534D+00 -0.412070D+00
               246           247           248           249           250 
      1  -0.963534D+00  0.141812D+00  0.128735D+00  0.548193D+00  0.279474D+00
      2  -0.412070D+00  0.128735D+00  0.890719D+00  0.908904D+00  0.788497D+00
      3  -0.114179D+01  0.548193D+00  0.908904D+00  0.446208D+00 -0.315440D+00
               251           252           253           254           255 
      1   0.788497D+00 -0.315440D+00 -0.540060D+00  0.718773D+00 -0.323433D+00
      2   0.161999D+01  0.725775D+00  0.718773D+00  0.132645D+01  0.581645D+00
      3   0.725775D+00 -0.194447D+00 -0.323433D+00  0.581645D+00  0.430110D+00
               256           257           258           259           260 
      1   0.399183D+00  0.872728D+00  0.498786D+00 -0.107311D+01 -0.339568D+00
      2   0.872728D+00  0.455670D+00 -0.536172D-01 -0.339568D+00 -0.161918D+01
      3   0.498786D+00 -0.536172D-01  0.579768D+00 -0.123166D+01 -0.630091D+00
               261           262           263           264           265 
      1  -0.123166D+01 -0.363123D+01 -0.182790D+01  0.202602D+00 -0.342638D+01
      2  -0.630091D+00 -0.182790D+01 -0.218536D+01  0.435615D+00 -0.913899D+00
      3  -0.690773D+01  0.202602D+00  0.435615D+00 -0.639787D+00  0.138262D+01
               266           267           268           269           270 
      1  -0.913899D+00  0.138262D+01 -0.148969D+01  0.851212D+00  0.155024D+00
      2  -0.223943D+01 -0.142877D+00  0.851212D+00 -0.326522D+00 -0.761512D+00
      3  -0.142877D+00 -0.102897D+01  0.155024D+00 -0.761512D+00  0.210605D+00
               271           272           273           274           275 
      1   0.145125D+01 -0.101995D+01 -0.299581D+00 -0.490547D+00 -0.451336D+00
      2  -0.101995D+01 -0.281410D+00  0.314979D+00 -0.451336D+00  0.282907D+00
      3  -0.299581D+00  0.314979D+00  0.688862D+00  0.224527D+00  0.690955D+00
               276           277           278           279           280 
      1   0.224527D+00  0.159286D+01 -0.345767D+00 -0.134256D+01  0.187936D+01
      2   0.690955D+00 -0.345767D+00  0.109100D+01 -0.246888D+00  0.489462D+00
      3  -0.192819D+00 -0.134256D+01 -0.246888D+00  0.686532D+01  0.377293D+00
               281           282           283           284           285 
      1   0.489462D+00  0.377293D+00  0.200463D+01  0.163608D+01 -0.345285D+00
      2   0.311288D+01 -0.133505D+01  0.163608D+01  0.455787D+01 -0.443090D+00
      3  -0.133505D+01  0.962354D+00 -0.345285D+00 -0.443090D+00  0.776514D+00
               286           287           288           289           290 
      1   0.556607D+00 -0.992809D+00  0.789875D+00 -0.391457D+00  0.179274D+00
      2  -0.992809D+00  0.130613D+01 -0.782599D-01  0.179274D+00  0.735825D+00
      3   0.789875D+00 -0.782599D-01 -0.209020D+00 -0.602269D+00 -0.339932D+00
               291           292           293           294           295 
      1  -0.602269D+00 -0.568792D-01  0.124115D+01 -0.432788D+00 -0.119622D+01
      2  -0.339932D+00  0.124115D+01 -0.105988D+01  0.211673D+00  0.403561D+00
      3   0.291465D+00 -0.432788D+00  0.211673D+00 -0.655614D+00  0.743515D-01
               296           297           298           299           300 
      1   0.403561D+00  0.743515D-01 -0.109158D+01 -0.209166D+00 -0.882924D+00
      2  -0.150226D+01  0.136880D+01 -0.209166D+00 -0.999206D+00 -0.791411D+00
      3   0.136880D+01 -0.686783D+01 -0.882924D+00 -0.791411D+00 -0.586193D+00
               301           302           303           304           305 
      1   0.175102D+01 -0.189496D+00  0.189253D+00 -0.139051D+01 -0.927432D+00
      2  -0.189496D+00  0.619885D+01  0.930472D+00 -0.927432D+00 -0.487555D+00
      3   0.189253D+00  0.930472D+00  0.107918D+01 -0.742011D+00  0.228771D+00
               306           307           308           309           310 
      1  -0.742011D+00 -0.768997D-01 -0.715479D+00  0.211187D+00 -0.112988D+01
      2   0.228771D+00 -0.715479D+00 -0.659754D+00 -0.506003D+00 -0.103445D+01
      3   0.199875D+00  0.211187D+00 -0.506003D+00 -0.521605D+00 -0.598195D+00
               311           312           313           314           315 
      1  -0.103445D+01 -0.598195D+00  0.153192D+01  0.392396D+00  0.460140D+00
      2   0.238921D+00  0.185963D+00  0.392396D+00  0.116805D+01  0.129280D+01
      3   0.185963D+00 -0.505251D+00  0.460140D+00  0.129280D+01  0.689979D+01
               316           317           318           319           320 
      1   0.102716D+01 -0.126886D+01  0.472339D+00 -0.324897D+01  0.164678D+01
      2  -0.126886D+01  0.226149D+01  0.294600D+00  0.164678D+01 -0.421963D+01
      3   0.472339D+00  0.294600D+00  0.200736D+00  0.126005D+01 -0.544282D+00
               321           322           323           324           325 
      1   0.126005D+01  0.192705D+01  0.188663D+00 -0.434309D+00 -0.177518D+01
      2  -0.544282D+00  0.188663D+00 -0.111540D+00 -0.649676D+00  0.136229D+00
      3  -0.121130D+01 -0.434309D+00 -0.649676D+00 -0.217208D+00  0.350577D+00
               326           327           328           329           330 
      1   0.136229D+00  0.350577D+00  0.667986D+00  0.588349D+00 -0.188604D+00
      2   0.642391D+00 -0.107104D+00  0.588349D+00 -0.421903D+00 -0.735256D+00
      3  -0.107104D+00 -0.712194D+00 -0.188604D+00 -0.735256D+00  0.914865D-01
               331           332           333 
      1  -0.177862D+01 -0.622328D-01  0.116211D+01
      2  -0.622328D-01 -0.919498D+00 -0.738155D+00
      3   0.116211D+01 -0.738155D+00 -0.688138D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103808D+02 -0.663743D+01  0.572714D+01 -0.535605D+01 -0.226438D+01
      2   0.916922D-01  0.269719D+01  0.290666D+01  0.161691D+01  0.224496D+01
      3  -0.963844D+01  0.284342D+01  0.843235D+01  0.606202D+01  0.882371D+01
                 6             7             8             9            10 
      1  -0.807242D+01  0.120013D+01 -0.260137D+01  0.198698D+01  0.409948D+01
      2   0.698206D+00 -0.518922D-01 -0.176876D-01 -0.127418D+01 -0.295811D+01
      3   0.114159D+01  0.932021D+01  0.249193D+01 -0.437484D+01  0.101305D+02
                11            12            13            14            15 
      1  -0.792900D+01 -0.684964D+01 -0.622597D+01  0.879940D+01 -0.566768D+01
      2   0.182406D+01  0.547770D+01  0.232548D+01  0.182567D+00  0.330758D+00
      3  -0.501984D+01 -0.738963D+01 -0.191233D+01 -0.930253D+01  0.453321D+01
                16            17            18            19            20 
      1  -0.214701D+01 -0.237401D+01 -0.245703D+01 -0.584624D+00 -0.226762D+01
      2   0.845341D+00  0.824269D+00 -0.387254D+00  0.223315D+02  0.165499D+02
      3  -0.762696D+01  0.627540D+01  0.452676D+01 -0.232623D+02 -0.195384D+02
                21            22            23            24            25 
      1   0.289677D+01 -0.648572D+01 -0.215093D+02 -0.202900D+01  0.132840D+02
      2   0.101793D+02  0.512465D+01 -0.234346D+01 -0.528241D+01 -0.124500D+02
      3  -0.100015D+02  0.535564D+01  0.224981D+02  0.773102D+01 -0.231239D+01
                26            27            28            29            30 
      1   0.209001D+02  0.200463D+02  0.222881D+01  0.344178D+01  0.978979D-01
      2  -0.169271D+02 -0.201709D+02  0.300247D+01 -0.194661D+01 -0.129105D+02
      3   0.525713D+01  0.155379D+01 -0.149425D+00  0.170682D+02 -0.244664D+00
                31            32            33            34            35 
      1   0.355025D+01 -0.234718D+01  0.131341D+02  0.128284D+00 -0.152332D+02
      2  -0.203149D+01 -0.344546D+01  0.115214D+00  0.154824D+02  0.122545D+00
      3  -0.169890D+02 -0.392662D+00 -0.765002D-01 -0.143008D+00  0.133553D+00
                36            37            38            39            40 
      1   0.496251D-01  0.474896D+01 -0.250820D+01  0.121672D+01 -0.200256D+01
      2  -0.232960D+00  0.993774D+01 -0.229563D+02  0.119340D+02 -0.108121D+02
      3  -0.157885D+00  0.114922D+02 -0.338473D+02  0.122823D+02 -0.899744D+01
                41            42            43            44            45 
      1   0.234088D+02 -0.261526D+00 -0.584090D+01  0.305141D+02 -0.261544D+02
      2   0.355546D+00  0.102366D+01 -0.294259D+01  0.930057D+01 -0.107976D+02
      3  -0.103749D+02  0.306534D+01  0.419321D+01  0.359337D+01 -0.143633D+01
                46            47            48            49            50 
      1   0.200059D+01 -0.279601D+01  0.610352D+01 -0.136968D+02 -0.249384D+02
      2   0.204899D+02  0.859582D+01  0.311534D+01  0.298283D+01 -0.110762D+01
      3  -0.235077D+02 -0.112446D+02 -0.878799D+01  0.136104D+02  0.243821D+02
                51            52            53            54            55 
      1  -0.909747D+01  0.173698D+02  0.163616D+02  0.224583D+02  0.171229D+01
      2  -0.379574D+01 -0.170129D+02 -0.138266D+02 -0.171611D+02 -0.100103D+02
      3   0.900575D+01 -0.530326D+01  0.168039D+01 -0.152374D+01  0.802813D+01
                56            57            58            59            60 
      1  -0.340919D+01 -0.237550D+00 -0.306975D+01  0.268094D+01 -0.645560D+01
      2   0.505651D+01  0.469978D+01  0.656676D+01 -0.219309D+01  0.682333D+01
      3   0.433923D+01 -0.543148D+01  0.772473D+01 -0.885340D+01  0.690549D+01
                61            62            63            64            65 
      1  -0.923408D+00 -0.120479D+01  0.405188D-01 -0.171960D+01 -0.242088D+01
      2   0.166609D+01  0.215054D+01  0.245788D+01  0.591270D+00  0.387534D+01
      3  -0.698118D+01  0.685734D+01 -0.442490D+01 -0.752409D+01 -0.840867D+01
                66            67            68            69            70 
      1  -0.145918D+01 -0.361386D+01 -0.219954D+01 -0.234083D+01 -0.365321D+00
      2   0.867714D+01  0.495153D+01  0.117884D+02 -0.509092D+01  0.278215D+01
      3  -0.921175D-01 -0.520160D+01  0.840104D+01 -0.871959D+01 -0.132754D+01
                71            72            73            74            75 
      1   0.123591D+00  0.151996D+01 -0.154208D+01  0.114373D+02  0.324580D+00
      2  -0.784552D+00 -0.180650D+01 -0.239335D+02  0.103729D+01  0.370722D+00
      3  -0.967386D+01  0.434195D+01  0.485419D+01  0.110444D+02 -0.161767D+01
                76            77            78            79            80 
      1   0.232785D+02 -0.467555D+01 -0.116477D+02 -0.567821D+01  0.149078D+01
      2   0.310415D+01 -0.516573D+01 -0.274430D+01 -0.320828D+02  0.196824D+01
      3   0.356540D+02 -0.544110D+01 -0.124323D+02 -0.326200D+01 -0.461830D+01
                81            82            83            84            85 
      1   0.745102D+01  0.148714D+01  0.276167D+01 -0.669668D+01 -0.511446D+01
      2   0.273772D+02  0.137433D+02 -0.170327D+02  0.763928D+01 -0.765834D+01
      3   0.161814D+01  0.173120D+02 -0.287222D+02  0.116721D+02 -0.368158D+01
                86            87            88            89            90 
      1   0.272885D+02 -0.464912D+01 -0.130549D+02  0.276795D+02 -0.273376D+02
      2  -0.453479D+01  0.444653D+01 -0.583138D+01  0.954942D+01 -0.725244D+01
      3  -0.182430D+02  0.490694D+01  0.563958D+01 -0.469976D+00  0.146282D+01
                91            92            93            94            95 
      1  -0.886858D+01 -0.237982D+01 -0.135956D+01 -0.297461D+01 -0.738454D-01
      2  -0.105791D+02  0.100581D+01  0.241693D+01 -0.954409D+00  0.851813D+00
      3  -0.142648D+01  0.870083D+01  0.727901D+01  0.116435D+02  0.251394D+01
                96            97            98            99           100 
      1  -0.861366D+01  0.750268D+00 -0.229729D+01  0.815640D+00 -0.529081D+00
      2  -0.511348D+01  0.574336D+00 -0.198465D+01  0.211766D+01 -0.640793D+00
      3   0.416285D+01  0.894826D+01  0.330949D+01  0.439395D+01  0.333559D+00
               101           102           103           104           105 
      1  -0.807087D+00  0.421579D+01 -0.242177D+01  0.929003D+01 -0.210635D+01
      2   0.163588D+01  0.898701D+01  0.890105D+00  0.108382D+02  0.219067D+01
      3  -0.117988D+02 -0.316585D+01 -0.855414D+01 -0.104778D+01 -0.808165D+01
               106           107           108           109           110 
      1   0.153975D+01 -0.278333D+00 -0.193762D+01  0.444767D+01  0.923632D+01
      2   0.243502D+01 -0.460043D+00 -0.975838D+00 -0.262860D+02  0.283354D+01
      3  -0.215613D+01 -0.940240D+01 -0.423842D+01  0.131246D+02  0.767514D+01
               111           112           113           114           115 
      1  -0.378699D+01  0.194944D+02 -0.992923D+01 -0.902277D+01 -0.624068D+01
      2   0.315004D+01 -0.362933D+01 -0.285370D+01  0.624466D+01 -0.302716D+02
      3  -0.321828D+01  0.325636D+02 -0.125450D+02 -0.121731D+02  0.129419D+01
               116           117           118           119           120 
      1   0.329521D+01  0.355660D+01  0.177144D+01 -0.155469D+01 -0.200762D+01
      2   0.996984D+01  0.280966D+02  0.190305D+01  0.850818D+00  0.571304D+01
      3  -0.557426D+01 -0.164781D+01  0.809420D+01 -0.530928D+01 -0.316143D+01
               121           122           123           124           125 
      1  -0.331920D+00  0.110478D+01 -0.314729D+00 -0.141140D+01  0.138633D+01
      2  -0.288615D+01 -0.173891D+01  0.383124D+00  0.262796D+01 -0.213566D+00
      3  -0.238460D+01  0.179332D+01  0.238324D+01 -0.108308D+01  0.290909D+01
               126           127           128           129           130 
      1   0.752215D+00  0.522943D+00  0.101346D+01  0.736220D+00 -0.289248D+00
      2  -0.258064D+01 -0.476427D+01  0.160382D+01 -0.218975D+01  0.842168D+00
      3   0.114730D+01 -0.387770D+01  0.359350D+01 -0.200387D+01  0.232418D+01
               131           132           133           134           135 
      1  -0.308487D+01 -0.186424D+01 -0.112336D+00  0.974309D+00  0.875824D+00
      2  -0.662923D+01  0.738397D+01 -0.182035D+01  0.555660D+01 -0.635249D+01
      3  -0.151250D+02  0.703183D+01 -0.404271D+00  0.569495D+01 -0.580637D+01
               136           137           138           139           140 
      1   0.198407D+00  0.100464D+01 -0.149745D+01  0.236220D+01  0.216760D+01
      2   0.671663D+00  0.583053D+00  0.483867D+01 -0.306135D+01  0.962649D+00
      3  -0.197606D+01 -0.540589D+01 -0.103976D+01 -0.269048D+01 -0.796292D+01
               141           142           143           144           145 
      1  -0.114180D+01 -0.948303D+00  0.503486D+00 -0.924812D+00 -0.300603D+01
      2   0.311942D+01  0.159632D+01  0.250911D+01  0.235201D+01  0.308221D+01
      3  -0.387677D+01  0.101143D+01 -0.286910D+01 -0.106902D+01  0.519668D+01
               146           147           148           149           150 
      1   0.999669D+00 -0.126440D+01  0.244982D+01 -0.595657D+01  0.283771D+01
      2   0.433943D+00  0.244971D+01  0.520916D+00  0.430971D+01 -0.686561D+01
      3  -0.425674D+01  0.273720D+01 -0.541087D+01  0.137030D+02 -0.676997D+01
               151           152           153           154           155 
      1  -0.157136D+01  0.406714D+01 -0.316601D+01  0.133860D+01 -0.728904D+00
      2   0.123693D+01 -0.388225D+01  0.564351D+01  0.131485D+01 -0.102008D+01
      3   0.310034D+01 -0.485323D+01  0.581629D+01  0.478161D-01 -0.242973D+01
               156           157           158           159           160 
      1   0.215154D+01  0.211208D+01 -0.284355D+01 -0.333967D+01  0.114857D+01
      2   0.279761D+01  0.213569D+01  0.116533D+01 -0.373728D+01  0.573317D-01
      3  -0.300294D+00  0.669115D+00  0.985645D+01 -0.387774D+01 -0.199281D+01
               161           162           163           164           165 
      1  -0.108330D+01  0.180398D+01  0.537132D+01  0.139029D+01  0.382933D+01
      2  -0.271257D+01  0.186150D+01  0.912520D+00 -0.541022D+00  0.348792D+01
      3  -0.205551D+01  0.108920D+01 -0.976702D+01 -0.564784D+01 -0.497164D+01
               166           167           168           169           170 
      1   0.277310D+01  0.572394D+01  0.403753D+01  0.369166D+01  0.409452D+01
      2  -0.115771D+01  0.249029D+01  0.414340D+01  0.119543D+01  0.174297D+01
      3  -0.693194D+01 -0.909374D+01 -0.521321D+01 -0.460743D+01 -0.323766D+01
               171           172           173           174           175 
      1   0.511512D+01 -0.135049D+01 -0.187981D+01  0.352523D+01  0.730208D+00
      2   0.411232D+01  0.290859D+01 -0.183036D+01  0.404826D+01  0.137761D+01
      3  -0.576868D+01 -0.995181D+01 -0.193835D+01  0.377967D+01  0.798819D+00
               176           177           178           179           180 
      1  -0.136894D+01 -0.191582D+01  0.255070D+01  0.458243D+00 -0.167968D+01
      2  -0.170305D+01 -0.191455D+01  0.166440D+01 -0.948720D+00 -0.212448D+01
      3  -0.179466D+00  0.102431D+01  0.179860D+01  0.231472D+01 -0.114529D+01
               181           182           183           184           185 
      1  -0.210782D+01  0.133800D+01 -0.313257D+01  0.463915D+00 -0.342131D-01
      2  -0.574630D+01 -0.250285D+01 -0.393322D+01 -0.129071D+01 -0.599929D+01
      3   0.780704D+01  0.650748D+01  0.453194D+01  0.530973D+01  0.113812D+02
               186           187           188           189           190 
      1  -0.348296D+01 -0.102819D+01 -0.880022D+00 -0.336316D+01 -0.983002D+00
      2  -0.487232D+01 -0.369527D+01 -0.437032D+01 -0.557520D+01 -0.185369D+01
      3   0.566110D+01  0.258335D+01  0.499879D+01  0.574380D+01  0.673865D+01
               191           192           193           194           195 
      1   0.347834D+01 -0.254215D+01 -0.529565D+00 -0.503536D+00 -0.540055D+01
      2  -0.215881D+01  0.606202D+00 -0.125222D+01 -0.638606D+00  0.945332D+00
      3   0.315625D+01  0.366868D+01  0.602655D+01  0.317799D+01  0.149579D+01
               196           197           198           199           200 
      1  -0.208077D+01 -0.177962D+01 -0.242790D+01 -0.485069D+01 -0.371711D+00
      2  -0.931622D+00  0.589630D+00  0.630934D+00  0.569599D+01 -0.211339D+01
      3   0.290706D+01 -0.849405D+00  0.993434D+00 -0.146736D+02  0.415238D+01
               201           202           203           204           205 
      1   0.742101D+01 -0.411882D+00 -0.362168D+01 -0.154589D+01  0.454547D+01
      2  -0.200605D+01 -0.652062D+00  0.206420D+01  0.676552D+00 -0.367735D+01
      3   0.698976D+01  0.299901D+01 -0.406014D+01 -0.181697D+01  0.520579D+01
               206           207           208           209           210 
      1  -0.743756D+00 -0.600566D+01  0.153384D+01  0.323928D+01  0.307149D+00
      2   0.953882D+00  0.241511D+01 -0.117751D+01  0.834039D+00  0.111777D+00
      3  -0.245562D+01 -0.586142D+01 -0.296904D+01  0.311630D+01 -0.271901D+01
               211           212           213           214           215 
      1  -0.682419D+00 -0.141461D+01 -0.594656D+01  0.688092D+00 -0.269430D+01
      2   0.154495D+01 -0.168537D+01  0.127908D+01 -0.144296D+01  0.860332D+00
      3   0.599424D+01 -0.693765D+01  0.287110D+01 -0.292640D+01  0.642441D+00
               216           217           218           219           220 
      1   0.258472D+01  0.633051D+01 -0.585176D+00 -0.768102D+01 -0.121170D+01
      2  -0.381134D+00  0.395906D+01  0.672483D+00  0.959068D+00 -0.681490D+00
      3  -0.106447D+01  0.155086D+02 -0.752137D+00 -0.707918D+01 -0.194956D+01
               221           222           223           224           225 
      1   0.442973D+01  0.129450D+01 -0.558091D+01  0.107731D+01  0.644046D+01
      2  -0.136121D-01 -0.338410D+00 -0.169145D+01  0.154765D+00 -0.663257D-01
      3   0.309804D+01  0.108530D+01 -0.567358D+01 -0.258029D+00  0.579315D+01
               226           227           228           229           230 
      1  -0.586887D+00  0.393952D+01  0.608355D+00  0.594278D+00  0.115429D+01
      2  -0.879730D+01  0.412448D+01 -0.696161D+00  0.101308D+01  0.618564D+00
      3  -0.117077D+02  0.211299D+01 -0.239062D+01  0.206175D+01  0.186700D+00
               231           232           233           234           235 
      1  -0.205496D+01  0.220360D+01 -0.218026D+01  0.577123D+00  0.180764D+01
      2  -0.900697D+00  0.170585D+01 -0.273146D+01 -0.814103D-01  0.288860D+00
      3  -0.698627D+00  0.213367D+01 -0.131611D+01 -0.228493D+00 -0.198739D+00
               236           237           238           239           240 
      1   0.398955D+00 -0.823740D+00  0.163568D+01 -0.121186D+01  0.386406D+01
      2   0.365013D+00 -0.122572D+01  0.559387D-01 -0.274855D+01  0.210434D+01
      3  -0.736713D+00 -0.169952D+01  0.433606D+00 -0.180686D+01  0.133552D+00
               241           242           243           244           245 
      1   0.260012D+01  0.337413D+00  0.148860D+02 -0.171015D+01  0.241713D+01
      2  -0.141868D+01 -0.149618D+01  0.398050D+01 -0.924007D+01 -0.102856D+01
      3  -0.177660D+01 -0.163739D+01 -0.157339D+01  0.113951D+02 -0.269890D+01
               246           247           248           249           250 
      1  -0.134734D+01  0.534012D+00 -0.193662D+01 -0.114583D+01 -0.158323D+01
      2   0.275841D+00  0.316357D+01  0.201604D+01  0.165890D+01  0.356630D+01
      3   0.189800D+01 -0.281708D+01  0.473051D-01 -0.157708D+01 -0.259640D+01
               251           252           253           254           255 
      1  -0.407257D+00 -0.558793D+00 -0.714598D+00  0.499333D+00  0.133098D+01
      2   0.214894D+01  0.200648D+00 -0.587106D-01 -0.171146D+01 -0.262670D+01
      3  -0.357550D+00  0.187639D+00  0.335390D+00 -0.998849D-01  0.160616D+01
               256           257           258           259           260 
      1   0.179485D+01 -0.767746D+00  0.244460D+01 -0.238234D+01  0.198651D+01
      2  -0.189996D+01 -0.200231D+01 -0.263142D+01  0.183696D+00  0.122929D+01
      3   0.106069D+01  0.166912D+01 -0.518703D+00  0.102249D+01 -0.217806D+01
               261           262           263           264           265 
      1  -0.122625D+02 -0.275545D+01 -0.318640D+01  0.668080D+00 -0.425360D+01
      2   0.937020D+01  0.297573D+01  0.210408D+01  0.204642D+01  0.654037D+01
      3   0.161494D+01 -0.454275D+01 -0.612795D+01  0.566640D+00 -0.625872D+01
               266           267           268           269           270 
      1  -0.436377D+01  0.637255D+00 -0.128423D+01  0.292281D+00 -0.330534D+00
      2   0.548188D+00 -0.981540D+00  0.417240D+01  0.752600D+00 -0.464703D+00
      3  -0.675468D+01  0.242327D+01 -0.220180D+01 -0.118418D+01 -0.221838D+00
               271           272           273           274           275 
      1  -0.125528D+01  0.112509D+01  0.234786D+00  0.208937D+00 -0.120640D+01
      2   0.223463D+01 -0.827950D+00 -0.446186D+01 -0.171593D+01 -0.155684D+01
      3  -0.128827D+01  0.201712D+00  0.983726D+00  0.134848D+01 -0.718849D+00
               276           277           278           279           280 
      1   0.651483D+00 -0.403563D-02  0.293255D+01 -0.400880D+01  0.863898D-01
      2   0.104738D+01  0.116775D+01  0.112769D+01 -0.148508D+02  0.366870D+01
      3   0.142664D+01 -0.526527D+00  0.235034D+01 -0.158824D+01  0.548299D+01
               281           282           283           284           285 
      1  -0.660500D+01  0.124782D+01 -0.202462D+01 -0.459347D+01 -0.178843D+01
      2   0.346557D+01 -0.368817D+00  0.309506D+01  0.313718D+01 -0.953935D+00
      3   0.633085D+01 -0.231513D+01  0.632076D+01  0.611354D+01 -0.835120D+00
               286           287           288           289           290 
      1  -0.164157D+00 -0.441209D+01  0.457924D+00  0.945459D+00  0.218419D+01
      2  -0.468605D+00  0.694327D+00  0.371171D+00  0.147278D+01  0.103082D+00
      3   0.871800D+00  0.237158D+01  0.222113D+00  0.906445D+00 -0.139724D+01
               291           292           293           294           295 
      1  -0.154433D+01  0.142966D+01 -0.200599D+01  0.429036D+01 -0.592683D+00
      2  -0.826176D+00 -0.912117D+00  0.807823D+00  0.257013D+00 -0.303616D+01
      3  -0.127446D+01 -0.244548D+00  0.107986D+01 -0.114701D+01 -0.242287D+01
               296           297           298           299           300 
      1  -0.122296D+01  0.142019D+02 -0.180769D+01 -0.451997D+01 -0.173358D+01
      2  -0.535655D+00  0.591732D+01  0.211118D+01 -0.104200D+01  0.809167D+00
      3   0.212788D+00  0.158863D+01 -0.985544D+00  0.421842D+01  0.176914D+01
               301           302           303           304           305 
      1  -0.320796D-01  0.857244D+01 -0.627774D+00 -0.171156D+01 -0.395405D+01
      2  -0.241149D+01  0.246548D+01  0.138995D+01  0.170977D-01  0.111836D+01
      3   0.411579D+01 -0.105230D+02 -0.169969D+01  0.758717D-02  0.258197D+01
               306           307           308           309           310 
      1  -0.266981D+00  0.133775D+01  0.230788D+01  0.253813D+01  0.198979D+01
      2   0.524300D+00  0.124614D+01 -0.145232D+01 -0.197490D+01 -0.197435D+00
      3  -0.165572D+00 -0.150155D+01 -0.120684D+01  0.719999D+00 -0.719022D-01
               311           312           313           314           315 
      1   0.508385D+00  0.316419D+01 -0.895089D+00 -0.596394D+00 -0.108763D+02
      2   0.485281D+00 -0.126087D+01 -0.245713D+01  0.203039D+01  0.109436D+02
      3  -0.483824D+00 -0.155875D+01  0.233026D+01 -0.734055D+00 -0.159977D+01
               316           317           318           319           320 
      1   0.229124D+00 -0.212578D+01  0.514974D+00 -0.468027D+01  0.776797D+01
      2  -0.384935D+00 -0.962681D+00  0.219122D+01 -0.467731D+01  0.105863D+01
      3   0.456899D+00 -0.361675D+01  0.372695D+00 -0.354779D+01  0.108360D+02
               321           322           323           324           325 
      1   0.802856D+00  0.259056D+01 -0.108801D+01  0.134628D+00  0.255456D+01
      2  -0.216860D+00  0.279717D+01 -0.204446D+01 -0.584337D+00  0.179210D+01
      3   0.240479D+01  0.157314D+01 -0.192906D+01  0.216359D+00  0.173232D+01
               326           327           328           329           330 
      1   0.499853D+00 -0.173223D+01  0.118093D-01 -0.336553D-01  0.912952D+00
      2  -0.113657D+01 -0.420720D+01  0.298346D-01 -0.203124D+01  0.438837D+00
      3  -0.235168D+00 -0.372548D+00  0.921889D+00  0.254240D+00  0.167758D+01
               331           332           333 
      1   0.128098D+01  0.193407D+01 -0.200987D+01
      2   0.153781D+00 -0.238774D+01 -0.152502D+02
      3   0.138326D+01  0.197850D+01  0.158622D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.683737D+01 -0.135690D+02  0.797842D+01 -0.922688D+01  0.253177D+02
      2   0.108554D+02  0.234604D+02 -0.889181D+01  0.172656D+02 -0.372437D+02
      3  -0.401804D+01 -0.989143D+01  0.913398D+00 -0.803872D+01  0.119259D+02
      4  -0.106159D+02  0.541908D+01  0.125723D+02  0.575209D+01  0.131069D+02
      5   0.846092D+01  0.659830D+00 -0.788976D+01 -0.257858D+01 -0.275469D+01
      6   0.140763D+02 -0.932438D+01 -0.533386D+01 -0.421073D+01  0.234973D+02
                 6             7             8             9            10 
      1  -0.120621D+02  0.606363D+01 -0.974676D+01 -0.111243D+01  0.114150D+02
      2   0.222989D+02 -0.657944D+01  0.179877D+02 -0.241585D+01 -0.160908D+02
      3  -0.102367D+02  0.515803D+00 -0.824099D+01  0.352828D+01  0.467573D+01
      4  -0.594754D+00  0.106166D+02 -0.216610D+01 -0.446352D+01  0.195287D+01
      5  -0.576118D+00 -0.653093D+01  0.311612D+00  0.675081D+00 -0.795608D+00
      6  -0.685962D+01 -0.410257D+01 -0.735605D+01 -0.459157D+01 -0.216339D+02
                11            12            13            14            15 
      1   0.983098D+01 -0.847911D+00  0.754587D+01 -0.158397D+01  0.747247D+01
      2  -0.226569D+02 -0.372882D+01 -0.186420D+02 -0.118456D+01 -0.166157D+02
      3   0.128259D+02  0.457673D+01  0.110962D+02  0.276853D+01  0.914325D+01
      4  -0.231747D+02 -0.185154D+02 -0.193329D+02 -0.194659D+02 -0.578474D+01
      5  -0.862679D+01 -0.570294D+01 -0.372777D+01 -0.842505D+01  0.174297D+00
      6  -0.740170D+01  0.508143D+01 -0.435182D+01 -0.152066D+02 -0.908309D+01
                16            17            18            19            20 
      1  -0.151541D+01  0.526134D+01  0.166912D+01 -0.157698D+02 -0.458222D+01
      2  -0.208920D+01 -0.128987D+02 -0.501701D+01  0.105502D+02  0.703232D+01
      3   0.360461D+01  0.763733D+01  0.334790D+01  0.521961D+01 -0.245010D+01
      4  -0.154194D+02 -0.578810D+01  0.294587D+01 -0.695078D+01  0.606953D+01
      5  -0.529965D+01 -0.978674D+00  0.248364D+01 -0.395734D+01  0.294298D+01
      6   0.347696D+01 -0.816844D+01  0.433800D+01  0.496801D+01  0.294876D+01
                21            22            23            24            25 
      1  -0.236424D+01 -0.842145D+01 -0.102598D+02 -0.101645D+02 -0.102881D+01
      2   0.142537D+00  0.133116D+02  0.912411D+01  0.114417D+02  0.177072D+01
      3   0.222171D+01 -0.489014D+01  0.113574D+01 -0.127726D+01 -0.741914D+00
      4   0.247954D+01  0.889624D+01  0.945239D+01  0.534623D+01  0.772642D+00
      5   0.506028D+01  0.191786D+01  0.904630D+01  0.203644D+01  0.406620D+01
      6   0.218509D+01  0.440354D+01  0.813644D+01  0.832550D+01 -0.361998D-01
                26            27            28            29            30 
      1  -0.579134D+01  0.309563D+01 -0.113908D+02 -0.882267D-01 -0.551498D+01
      2   0.526593D+01  0.107857D+02  0.444046D+01  0.694903D-01  0.551092D+01
      3   0.525414D+00 -0.138813D+02  0.695030D+01  0.187364D-01  0.405375D-02
      4   0.417015D+01  0.103671D+00 -0.962164D-01 -0.772542D+01  0.365907D+01
      5   0.730778D+00 -0.363204D+01 -0.342784D+01  0.228599D+01 -0.490766D+01
      6   0.618994D+01 -0.606655D+01  0.230025D+01  0.348960D+01 -0.258439D-01
                31            32            33            34            35 
      1  -0.575490D-01  0.428695D+01  0.366521D+01 -0.746977D+01  0.502234D+01
      2   0.338438D-01 -0.112014D+02 -0.364982D+01  0.748259D+01 -0.501381D+01
      3   0.237052D-01  0.691447D+01 -0.153970D-01 -0.128204D-01 -0.852785D-02
      4  -0.783667D+01 -0.478287D-01  0.553334D+01  0.503055D+01  0.751161D+01
      5   0.228123D+01  0.348321D+01 -0.153157D-01  0.210207D+01 -0.283434D-01
      6   0.346507D+01 -0.234271D+01 -0.485068D+01 -0.390825D-02  0.217246D+01
                36            37            38            39            40 
      1   0.125144D+01 -0.130387D+01  0.181761D+01  0.680744D+00  0.640164D+01
      2   0.131519D+01 -0.583180D+01 -0.179286D+01 -0.329043D+01 -0.865922D+01
      3  -0.256663D+01  0.713568D+01 -0.247432D-01  0.260968D+01  0.225758D+01
      4  -0.153083D-01  0.116022D+02 -0.452432D+01 -0.231850D+01 -0.630663D+01
      5   0.234165D-01 -0.454801D+01  0.245009D+01  0.400414D+01  0.399725D+01
      6  -0.935784D-02 -0.116856D+01 -0.331124D+00 -0.431229D+00  0.735076D+00
                41            42            43            44            45 
      1  -0.196086D+02  0.113970D+02  0.157786D+01  0.699175D+01  0.418813D+01
      2   0.203508D+02 -0.117706D+02 -0.761936D+00 -0.681947D+01  0.956317D+01
      3  -0.742204D+00  0.373617D+00 -0.815927D+00 -0.172278D+00 -0.137513D+02
      4   0.275329D+01 -0.327886D+01  0.128895D+00 -0.117168D+01  0.267175D+01
      5   0.419411D+01 -0.272822D+00  0.403877D+01  0.186899D+00 -0.106223D+01
      6  -0.129368D+02  0.929151D+01  0.878781D+00  0.594490D+01  0.699450D+01
                46            47            48            49            50 
      1   0.446489D+01  0.974395D+01  0.973202D+01  0.433036D+01  0.138323D+02
      2  -0.657658D+01 -0.443646D+01 -0.817470D+01 -0.150464D+01 -0.180435D+02
      3   0.211170D+01 -0.530748D+01 -0.155733D+01 -0.282572D+01  0.421121D+01
      4   0.894021D+01  0.131038D+02  0.757932D+01  0.898358D+01 -0.721117D+00
      5   0.599814D+01  0.425980D+01  0.776468D+01  0.262696D+01  0.629087D+01
      6   0.913591D+01  0.410886D+01  0.240729D+01  0.487428D+01 -0.237196D+01
                51            52            53            54            55 
      1   0.743911D+00  0.386474D+01  0.210384D+01  0.105775D+02  0.653265D+01
      2  -0.279628D+01 -0.445108D+01 -0.150715D+01  0.321444D+01 -0.670243D+01
      3   0.205237D+01  0.586346D+00 -0.596690D+00 -0.137919D+02  0.169778D+00
      4   0.371612D+01  0.529226D+01  0.176454D+01  0.103682D+01 -0.125352D+02
      5   0.247408D+01  0.606031D+01  0.202589D+00 -0.546524D+01 -0.128854D+02
      6   0.563012D+01  0.932050D+00  0.415238D+01 -0.436055D+01 -0.840304D+01
                56            57            58            59            60 
      1  -0.103084D+02 -0.146218D+02 -0.128350D+02 -0.196382D+02 -0.824851D+00
      2  -0.252787D+00  0.619049D+01  0.743361D+00  0.118522D+02 -0.499157D+01
      3   0.105612D+02  0.843135D+01  0.120917D+02  0.778600D+01  0.581642D+01
      4  -0.236602D+02 -0.623065D+01 -0.280702D+02 -0.820654D+01 -0.195304D+02
      5  -0.273354D+01 -0.963314D+01 -0.508033D+01 -0.228081D+02  0.468825D+01
      6  -0.495500D+01 -0.357420D+00 -0.102561D+02 -0.557150D+01 -0.515131D+01
                61            62            63            64            65 
      1  -0.107653D+02  0.482922D+00 -0.568133D+01 -0.435798D+02  0.795479D+01
      2   0.387859D+01 -0.500088D+01  0.227660D+01  0.295405D+02 -0.220037D+01
      3   0.688676D+01  0.451796D+01  0.340473D+01  0.140393D+02 -0.575442D+01
      4  -0.583535D+01 -0.158789D+02  0.183771D+01  0.194883D+01  0.103915D+02
      5  -0.842141D+01  0.292992D+01  0.389041D+01  0.250996D+02 -0.225936D+01
      6  -0.146479D+01 -0.506521D+01  0.294175D+01  0.862225D+00 -0.442228D+01
                66            67            68            69            70 
      1   0.231436D+02  0.145018D+02  0.174902D+02 -0.936614D+01  0.190863D+02
      2  -0.129171D+02 -0.677608D+01 -0.113390D+02  0.967528D+01 -0.108858D+02
      3  -0.102265D+02 -0.772575D+01 -0.615126D+01 -0.309140D+00 -0.820050D+01
      4   0.248093D+01  0.114352D+02 -0.548717D+01  0.105465D+02  0.258841D+00
      5  -0.604951D+01 -0.811327D+01  0.115309D+02 -0.503481D+01 -0.685492D+01
      6  -0.352137D+00 -0.187592D+01  0.983250D+01 -0.881679D+01  0.295821D+00
                71            72            73            74            75 
      1  -0.680770D+01 -0.126884D+01  0.195509D+02 -0.298641D+01 -0.101414D+02
      2   0.736073D+01 -0.225942D+01 -0.186019D+02  0.181963D+01  0.100695D+02
      3  -0.553031D+00  0.352826D+01 -0.948946D+00  0.116679D+01  0.719512D-01
      4   0.879232D+01 -0.443298D+01  0.977565D+01 -0.811566D+01 -0.581530D+01
      5  -0.406316D+01 -0.461572D+01 -0.131009D+02 -0.149378D+01  0.930426D+01
      6  -0.706467D+01  0.471480D-01  0.145679D+01  0.486568D+01  0.467027D+00
                76            77            78            79            80 
      1   0.309740D+01 -0.918569D+01 -0.395366D+01 -0.625234D+01 -0.162801D+01
      2  -0.200848D+01  0.195836D+01  0.132453D+01  0.628438D+01  0.245629D+01
      3  -0.108892D+01  0.722733D+01  0.262913D+01 -0.320451D-01 -0.828281D+00
      4  -0.493896D+01  0.889702D+01 -0.350815D+01 -0.291472D+01 -0.454553D+00
      5  -0.224769D+01 -0.855366D+00  0.295291D+00  0.587239D+01  0.117954D+01
      6   0.316985D+01 -0.366979D+01  0.402950D+01  0.458303D+00  0.419846D+01
                81            82            83            84            85 
      1   0.883226D+01 -0.926778D-02  0.553319D+01  0.250326D+01  0.672788D+01
      2   0.491504D+01 -0.522287D+01 -0.103243D+02 -0.321435D+00 -0.918916D+01
      3  -0.137473D+02  0.523214D+01  0.479115D+01 -0.218183D+01  0.246128D+01
      4   0.332510D+01 -0.224697D+01  0.107189D+02 -0.921461D+01  0.494421D+01
      5   0.702674D+01  0.172404D+01 -0.271693D+00  0.568716D+01  0.141969D+01
      6  -0.168658D+00 -0.527507D+01  0.747258D+01 -0.245993D+01  0.755089D+01
                86            87            88            89            90 
      1   0.616260D+01  0.150360D+01 -0.129799D+01  0.146364D+00  0.873159D+01
      2  -0.721536D+01 -0.350310D+00  0.498071D+00 -0.579070D+00  0.498108D+01
      3   0.105276D+01 -0.115329D+01  0.799923D+00  0.432706D+00 -0.137127D+02
      4  -0.186045D+02  0.801007D+01 -0.513563D+01  0.501188D+01 -0.338339D+01
      5   0.706005D+01 -0.250168D+01  0.531973D+01 -0.760400D+00 -0.332264D+01
      6  -0.564115D+01  0.763169D+01 -0.153382D+01  0.485551D+01  0.613987D+01
                91            92            93            94            95 
      1   0.407263D+01 -0.135923D+02 -0.111701D+02 -0.139768D+02 -0.229599D+00
      2   0.275312D+01  0.179496D+02  0.538209D+01  0.202333D+02 -0.143312D+02
      3  -0.682575D+01 -0.435723D+01  0.578798D+01 -0.625644D+01  0.145608D+02
      4  -0.995055D+01 -0.891217D+01  0.652439D+01 -0.138600D+02  0.306592D+02
      5  -0.977156D+01 -0.282950D+01 -0.105422D+02 -0.246993D+01 -0.179835D+02
      6   0.684164D+01 -0.300568D+01  0.279257D+01 -0.865959D+01  0.195132D+02
                96            97            98            99           100 
      1  -0.829841D+01 -0.831734D+01 -0.797438D+01 -0.576951D+01 -0.274387D+02
      2   0.170086D+02  0.346271D+01  0.149123D+02  0.234696D+01  0.118636D+02
      3  -0.871023D+01  0.485464D+01 -0.693791D+01  0.342255D+01  0.155751D+02
      4  -0.160596D+02  0.549195D+01 -0.124105D+02  0.168380D+01  0.287434D+02
      5  -0.209693D+01 -0.854520D+01 -0.126362D+01  0.211207D+01  0.228667D+02
      6  -0.438513D+01  0.306915D+01 -0.510733D+01 -0.394923D+01 -0.141197D+02
               101           102           103           104           105 
      1   0.189783D+02  0.200531D+02  0.149768D+02  0.102602D+02  0.643441D+01
      2  -0.158550D+02 -0.107352D+02 -0.138009D+02 -0.222979D+01 -0.109452D+02
      3  -0.312329D+01 -0.931784D+01 -0.117588D+01 -0.803038D+01  0.451079D+01
      4  -0.353528D+01 -0.131314D+02  0.890736D+00 -0.112222D+02  0.667519D+01
      5  -0.626375D+01 -0.453464D+01 -0.307665D+00  0.701065D+01  0.343083D+01
      6  -0.445874D+01 -0.137227D+01 -0.413548D+01 -0.967720D+01 -0.103793D+02
               106           107           108           109           110 
      1   0.172478D+02  0.421548D+01  0.164244D+01  0.857252D+00 -0.946320D+01
      2  -0.984162D+01 -0.811588D+01 -0.508179D+01 -0.109175D+01  0.778921D+01
      3  -0.740620D+01  0.390040D+01  0.343935D+01  0.234502D+00  0.167400D+01
      4  -0.969745D+01  0.561586D+01  0.274811D+01 -0.208674D+02  0.224093D+00
      5  -0.549044D+01  0.346892D+01 -0.407277D+01 -0.853630D+01  0.700243D+01
      6  -0.755087D+00 -0.831028D+01  0.159405D+01  0.573583D+01  0.309961D+01
               111           112           113           114           115 
      1  -0.262161D+01 -0.120845D+02 -0.751148D+01  0.182263D+01 -0.185136D+01
      2   0.355883D+01  0.798145D+01  0.141953D+01  0.598430D+00  0.165810D+01
      3  -0.937223D+00  0.410304D+01  0.609196D+01 -0.242106D+01  0.193260D+00
      4   0.871051D+01  0.583691D+01 -0.171127D+01 -0.818280D+01  0.515435D+01
      5   0.830664D+01  0.697324D+01 -0.354739D+01 -0.203609D+01  0.506254D+01
      6  -0.218262D+01  0.132717D+01  0.149990D+01  0.505778D+01 -0.754860D+00
               116           117           118           119           120 
      1   0.150615D+01  0.586478D+01  0.783819D+02 -0.162827D+01 -0.195969D+02
      2  -0.233961D+01  0.776657D+01 -0.450029D+02  0.194605D+01  0.134573D+02
      3   0.833460D+00 -0.136313D+02 -0.333790D+02 -0.317779D+00  0.613952D+01
      4  -0.401136D+01 -0.367403D+01  0.861577D+01  0.802381D+01 -0.183041D+01
      5  -0.148213D+01  0.652313D+01 -0.311279D+02  0.726420D+00  0.180079D+02
      6   0.500720D+01 -0.256071D+01 -0.305600D+01 -0.166247D+01  0.274867D+01
               121           122           123           124           125 
      1  -0.135626D+02  0.745318D+01  0.503966D+01 -0.164996D+02  0.142979D+01
      2   0.951802D+01 -0.408019D+01 -0.476479D+01  0.134777D+02 -0.195352D+01
      3   0.404459D+01 -0.337299D+01 -0.274865D+00  0.302185D+01  0.523726D+00
      4   0.976858D+01 -0.946945D+00 -0.464789D+01 -0.195216D+01 -0.349086D+01
      5   0.634921D+01 -0.600129D+01 -0.298888D+01  0.218490D+02 -0.282555D-01
      6  -0.256889D+01 -0.895439D+00  0.287125D+01  0.289531D+01  0.276576D+01
               126           127           128           129           130 
      1   0.130763D+02  0.243532D-01  0.579302D+01 -0.727609D+01  0.427167D+01
      2  -0.108077D+02  0.959808D+00 -0.402501D+01  0.361305D+01 -0.125181D+01
      3  -0.226862D+01 -0.984162D+00 -0.176801D+01  0.366304D+01 -0.301986D+01
      4   0.190461D+01  0.201243D+01  0.255203D+00 -0.133211D+01  0.698177D+01
      5  -0.132639D+02 -0.453912D+01 -0.968944D+00  0.718522D+00 -0.299654D+01
      6  -0.151051D+01 -0.366959D+01  0.268628D+01 -0.184687D+01 -0.191700D+01
               131           132           133           134           135 
      1  -0.134798D+02  0.777343D+01 -0.591839D+01  0.546792D+01 -0.695660D+01
      2   0.184621D+02 -0.638128D+01  0.322430D+01 -0.320476D+01  0.219138D+01
      3  -0.498230D+01 -0.139215D+01  0.269409D+01 -0.226317D+01  0.476523D+01
      4   0.227161D+02 -0.102192D+02 -0.420837D+01 -0.856297D+01  0.820018D+01
      5  -0.102108D+02  0.115672D+02  0.469147D+01  0.876562D+01 -0.105540D+02
      6  -0.169269D+02  0.125507D+02  0.140330D+01  0.112961D+02 -0.111777D+02
               136           137           138           139           140 
      1   0.329273D+02  0.159691D+02  0.932364D+01  0.182425D+02  0.106851D+02
      2  -0.121557D+02 -0.305328D+01 -0.449228D+01 -0.135045D+01  0.551652D+01
      3  -0.207716D+02 -0.129158D+02 -0.483137D+01 -0.168921D+02 -0.162016D+02
      4   0.303251D+02  0.223928D+02  0.890651D+01  0.317299D+02  0.332622D+02
      5   0.175758D+02  0.892749D+01  0.123819D+02  0.123567D+02  0.145459D+02
      6   0.797253D+01  0.554660D+01  0.454536D+01  0.950746D+01  0.116539D+02
               141           142           143           144           145 
      1   0.297801D+01  0.782620D+01  0.190741D+01  0.603763D+01  0.145518D+02
      2   0.910783D+00 -0.505365D+01 -0.520241D+00 -0.378799D+01 -0.977198D+01
      3  -0.388879D+01 -0.277254D+01 -0.138717D+01 -0.224964D+01 -0.477978D+01
      4   0.140421D+02  0.950107D+01  0.103367D+02  0.109031D+02 -0.587536D+01
      5   0.101058D+02  0.160693D+02  0.101774D+02  0.111706D+02  0.118257D+02
      6   0.855495D+01  0.729781D+01  0.833639D+01  0.674993D+01 -0.128283D+01
               146           147           148           149           150 
      1  -0.691524D+01  0.810534D+01 -0.135058D+02  0.827792D+01 -0.323828D+01
      2   0.499612D+01 -0.599628D+01  0.103544D+02 -0.698745D+01  0.652158D+01
      3   0.191912D+01 -0.210906D+01  0.315144D+01 -0.129047D+01 -0.328330D+01
      4   0.738845D+01 -0.185972D+01  0.111455D+02 -0.163362D+02  0.105059D+02
      5  -0.422466D+01  0.969603D+01 -0.885429D+01  0.124862D+02 -0.138301D+02
      6   0.193791D+01 -0.291638D+00  0.427707D+01 -0.600187D+01  0.346323D+01
               151           152           153           154           155 
      1   0.882267D+01 -0.676227D+00  0.431405D+01  0.554956D+01 -0.494141D+01
      2  -0.807266D+01  0.414570D+01 -0.908075D+01  0.381607D+01 -0.510571D+01
      3  -0.750007D+00 -0.346947D+01  0.476670D+01 -0.936563D+01  0.100471D+02
      4  -0.116990D+01  0.722616D+01 -0.650642D+01 -0.169671D+02  0.190919D+02
      5   0.119967D+02 -0.814849D+01  0.152225D+02  0.760643D+01 -0.572513D+01
      6  -0.785611D+00  0.399182D+01 -0.241157D+01 -0.655273D+01  0.478502D+01
               156           157           158           159           160 
      1   0.349559D+01 -0.941917D+00 -0.141900D+02  0.621288D+01  0.145705D+01
      2  -0.434755D+00 -0.132016D+02  0.415454D+02 -0.116209D+02  0.715937D+00
      3  -0.306083D+01  0.141435D+02 -0.273554D+02  0.540801D+01 -0.217299D+01
      4  -0.640686D+01  0.260261D+02 -0.453562D+02  0.140993D+02 -0.759878D+01
      5   0.678774D+01 -0.728300D+01  0.144492D+02 -0.933535D+01  0.886141D+01
      6  -0.397734D+01  0.952201D+01 -0.236714D+02  0.142601D+02 -0.763755D+01
               161           162           163           164           165 
      1   0.540350D+01 -0.314074D+01  0.256419D+02  0.689794D+01  0.103650D+02
      2  -0.781069D+01  0.542970D+01 -0.195157D+02 -0.685235D+01 -0.952661D+01
      3   0.240719D+01 -0.228896D+01 -0.612619D+01 -0.455919D-01 -0.838368D+00
      4   0.121005D+02 -0.113524D+02 -0.293683D+01  0.452441D+01 -0.210487D+01
      5  -0.105671D+02  0.789730D+01  0.170460D+02  0.312807D+01  0.136653D+02
      6   0.157749D+02 -0.106852D+02 -0.257933D+01  0.154212D+01 -0.395581D+01
               166           167           168           169           170 
      1   0.142368D+02  0.735580D+01  0.549921D+01  0.862495D+01  0.177281D+01
      2  -0.131396D+02 -0.747154D+01 -0.942265D+01 -0.916872D+01 -0.528861D+01
      3  -0.109716D+01  0.115741D+00  0.392344D+01  0.543765D+00  0.351581D+01
      4   0.329502D+01  0.452400D+01  0.522344D+01 -0.361348D+01  0.511254D+01
      5   0.814732D+01  0.847009D+01  0.926367D+01  0.139800D+02  0.397620D+01
      6   0.203165D+01 -0.829419D-01 -0.476754D+00 -0.337911D+01  0.190530D+01
               171           172           173           174           175 
      1   0.690516D+01  0.557213D+02 -0.135846D+02 -0.149764D+02 -0.322874D+01
      2  -0.117524D+02 -0.253889D+02  0.215678D+01  0.920940D+01 -0.387234D+01
      3   0.484725D+01 -0.303324D+02  0.114279D+02  0.576699D+01  0.710108D+01
      4  -0.970938D-01 -0.418112D+02  0.202632D+02  0.120686D+02  0.148676D+02
      5   0.151306D+02 -0.271282D+02  0.782940D+01  0.157903D+02  0.260395D+01
      6  -0.369995D+01  0.125608D+02 -0.520977D+01 -0.809607D+01 -0.417547D+01
               176           177           178           179           180 
      1   0.525991D+01 -0.958405D+00 -0.110396D+02  0.124479D+01  0.832825D+01
      2   0.123403D+01  0.323244D+01  0.834812D+01  0.610998D+00 -0.601431D+01
      3  -0.649394D+01 -0.227404D+01  0.269144D+01 -0.185579D+01 -0.231393D+01
      4  -0.114280D+02 -0.512492D+01  0.108882D+02 -0.612488D+01 -0.989526D+01
      5  -0.587538D+01 -0.259894D+01  0.180921D+02 -0.641814D+01 -0.117456D+02
      6   0.535297D+01  0.512995D+01 -0.942215D+01  0.663614D+01  0.651236D+01
               181           182           183           184           185 
      1  -0.572961D+01 -0.119040D+02 -0.934335D+01 -0.627090D+01 -0.205354D+02
      2   0.547013D+01  0.123064D+02  0.534756D+01  0.551844D+01  0.265856D+02
      3   0.259481D+00 -0.402353D+00  0.399579D+01  0.752455D+00 -0.605026D+01
      4   0.231721D+01  0.801925D+00  0.369517D+01  0.388784D+01 -0.797725D+01
      5  -0.138851D+01  0.129622D+01 -0.875844D+00  0.146644D+01 -0.441678D+01
      6   0.698499D+01  0.717402D+01  0.732892D+01  0.215118D+01  0.177924D+02
               186           187           188           189           190 
      1  -0.100077D+02 -0.533488D+01 -0.873432D+01 -0.113466D+02 -0.967775D+00
      2   0.102729D+02  0.196142D+01  0.774718D+01  0.657501D+01  0.133659D+02
      3  -0.265158D+00  0.337346D+01  0.987135D+00  0.477163D+01 -0.123981D+02
      4  -0.408400D+01  0.469554D+01 -0.522561D+01 -0.258424D+01  0.251364D+02
      5  -0.593250D+01  0.207166D+01 -0.498585D+01 -0.563541D+01  0.797899D+01
      6   0.141736D+02  0.233906D+01  0.139063D+02  0.144883D+02  0.129338D+02
               191           192           193           194           195 
      1  -0.694171D+01 -0.177972D+01 -0.603101D+01 -0.210468D+02 -0.690221D+01
      2   0.228382D+02  0.495048D+01  0.177238D+02  0.452668D+02  0.121860D+02
      3  -0.158965D+02 -0.317075D+01 -0.116928D+02 -0.242200D+02 -0.528378D+01
      4   0.283151D+02  0.122098D+02  0.192433D+02  0.293774D+02  0.843174D+01
      5   0.808001D+01  0.669783D+01  0.460998D+01  0.721984D+01  0.378398D+01
      6   0.127058D+02  0.930642D+01  0.875564D+01  0.213755D+02  0.143171D+02
               196           197           198           199           200 
      1  -0.217816D+01 -0.786017D+01 -0.646780D+01 -0.392994D+01  0.751958D+01
      2   0.318705D+01  0.109397D+02  0.866600D+01  0.591036D+01 -0.110690D+02
      3  -0.100889D+01 -0.307954D+01 -0.219821D+01 -0.198041D+01  0.354938D+01
      4   0.855679D+01  0.872508D+01  0.913412D+01 -0.203649D+02  0.122320D+02
      5   0.617832D+01  0.594748D+01  0.519167D+01 -0.846862D+01  0.461899D+01
      6   0.876479D+01  0.182338D+02  0.119294D+02  0.130337D+02 -0.794592D+01
               201           202           203           204           205 
      1   0.426277D+01  0.330393D+01 -0.642951D+01 -0.482572D+01  0.319911D+01
      2  -0.129553D+01 -0.555872D+01  0.103362D+02  0.741031D+01  0.137833D+00
      3  -0.296724D+01  0.225479D+01 -0.390666D+01 -0.258459D+01 -0.333694D+01
      4   0.116284D+02  0.715966D+01 -0.593278D+01 -0.207976D+01  0.798861D+01
      5   0.534467D+01  0.168777D+01 -0.181601D+01 -0.837101D+00  0.528853D+01
      6  -0.142975D+02 -0.364889D+01  0.100441D+02  0.776218D+01 -0.910209D+01
               206           207           208           209           210 
      1  -0.722325D+01 -0.716763D+01 -0.520056D+01  0.115672D+02 -0.499711D+01
      2   0.849674D+01  0.235974D+01  0.960136D+01 -0.191881D+02  0.601271D+01
      3  -0.127349D+01  0.480788D+01 -0.440080D+01  0.762099D+01 -0.101560D+01
      4  -0.235642D+01 -0.807467D+01 -0.518269D+01  0.127314D+02 -0.595267D+01
      5  -0.171814D+01 -0.439836D+01  0.601938D+00 -0.344773D+01  0.314079D+01
      6   0.107051D+02  0.147754D+02 -0.726210D+01  0.884416D+01 -0.478510D+01
               211           212           213           214           215 
      1   0.504009D+01 -0.437740D+02  0.129025D+02 -0.266858D+01  0.132254D+02
      2  -0.849341D+01  0.762594D+02 -0.189870D+02  0.252390D+01 -0.163081D+02
      3   0.345332D+01 -0.324854D+02  0.608457D+01  0.144677D+00  0.308263D+01
      4   0.850881D+01 -0.476480D+01  0.175928D+01 -0.393577D+01  0.139432D+01
      5  -0.179047D+01  0.311941D+00  0.776424D+00  0.269144D+01  0.420061D+00
      6   0.368963D+01 -0.301600D+02  0.177787D+02 -0.241571D+01  0.218870D+02
               216           217           218           219           220 
      1  -0.108586D+02  0.125939D+02 -0.133833D+01 -0.378791D+01 -0.228299D+01
      2   0.131492D+02 -0.827391D+01  0.475184D+01  0.559423D+01  0.451427D+01
      3  -0.229059D+01 -0.432001D+01 -0.341351D+01 -0.180632D+01 -0.223129D+01
      4  -0.114285D+01  0.247844D+02  0.902138D+01 -0.114521D+02  0.203773D+01
      5   0.206895D+00 -0.151981D+02 -0.315051D+01  0.109456D+02  0.111642D+01
      6  -0.132680D+02 -0.115332D+02 -0.418808D+01  0.128565D+02 -0.150825D+01
               221           222           223           224           225 
      1  -0.487050D+00  0.335606D+01 -0.137035D+01  0.415838D+01 -0.155451D+00
      2   0.219825D+01 -0.689092D+01  0.398295D+01 -0.658485D+01 -0.458309D+01
      3  -0.171120D+01  0.353485D+01 -0.261260D+01  0.242646D+01  0.473854D+01
      4   0.327942D+01 -0.145403D+01 -0.887146D+01 -0.407593D+01  0.909404D+01
      5  -0.311779D+01 -0.472281D+00  0.982357D+01  0.207430D+01 -0.970687D+01
      6  -0.585920D+01  0.223218D+01  0.943021D+01  0.624489D+01 -0.120306D+02
               226           227           228           229           230 
      1   0.117708D+02  0.178228D+01 -0.143252D+01 -0.243225D+01  0.228092D+01
      2  -0.384858D+01 -0.693704D+01  0.350049D+00 -0.123041D+01  0.249305D+01
      3  -0.792221D+01  0.515475D+01  0.108247D+01  0.366266D+01 -0.477398D+01
      4  -0.221806D+02  0.963498D+01 -0.372968D+01  0.865748D+01 -0.683060D+01
      5   0.104404D+02 -0.424142D+01  0.417362D+01 -0.232209D+01  0.924667D+00
      6  -0.362242D+01  0.614481D+01 -0.518963D+01  0.123004D+01  0.412066D+00
               231           232           233           234           235 
      1  -0.147054D+01 -0.694134D+00 -0.386236D+01  0.149907D+01 -0.619246D+00
      2   0.150232D+01 -0.183424D+01  0.632066D+01 -0.332845D+01 -0.211381D+01
      3  -0.317762D-01  0.252837D+01 -0.245831D+01  0.182938D+01  0.273306D+01
      4   0.117378D+01  0.177215D+01 -0.208381D+00 -0.315522D+01 -0.112190D+01
      5  -0.126543D+01  0.210575D+01 -0.523244D+00  0.181781D+01  0.158311D+01
      6   0.737144D+00 -0.257861D+01 -0.105270D+01 -0.260915D+00 -0.246065D+01
               236           237           238           239           240 
      1  -0.301123D+01  0.192593D+01 -0.169523D+01  0.166385D+01 -0.177490D+01
      2   0.313430D+01 -0.844749D+00  0.117179D+01 -0.445418D+01 -0.260454D+01
      3  -0.123075D+00 -0.108118D+01  0.523438D+00  0.279033D+01  0.437944D+01
      4   0.240400D+01 -0.303304D+01  0.300026D+00  0.178989D-01  0.418827D-01
      5  -0.942608D+00  0.481155D+01 -0.370046D+00 -0.126720D+01  0.109740D+01
      6  -0.133276D+01  0.101532D+01 -0.993485D+00  0.104421D+01  0.874689D+00
               241           242           243           244           245 
      1  -0.906173D+00  0.569987D+01 -0.160881D+02  0.278114D+02 -0.219114D+01
      2  -0.285362D+01 -0.358460D+01 -0.180915D+02 -0.172292D+02  0.497634D+01
      3   0.375980D+01 -0.211527D+01  0.341796D+02 -0.105822D+02 -0.278520D+01
      4  -0.366769D+01  0.487263D+00 -0.308516D+01  0.149964D+02  0.565597D+01
      5   0.433128D+01 -0.856301D+00  0.541910D+01  0.126732D+02  0.132260D+01
      6  -0.309621D+01  0.727844D+01 -0.217795D+02  0.878360D+00  0.333676D+01
               246           247           248           249           250 
      1   0.211512D+01 -0.424378D+00  0.458875D+01  0.114932D+01 -0.121959D+01
      2  -0.311569D+01  0.155725D+01 -0.250511D+01 -0.765414D+00 -0.204777D+01
      3   0.100057D+01 -0.113287D+01 -0.208364D+01 -0.383903D+00  0.326737D+01
      4   0.294537D+01  0.137945D+01  0.186517D+00 -0.147849D+01 -0.301644D+01
      5   0.595013D+01 -0.237790D+01 -0.948351D+00 -0.908330D+00  0.260052D+01
      6   0.302745D+01 -0.399160D+00 -0.222361D+01 -0.106437D+01  0.986773D+00
               251           252           253           254           255 
      1   0.290823D+01  0.297631D+01  0.199039D+01  0.333024D+01  0.407930D+01
      2  -0.418182D+01 -0.484307D+01 -0.456209D+01 -0.357807D+01 -0.144033D+01
      3   0.127359D+01  0.186676D+01  0.257170D+01  0.247832D+00 -0.263896D+01
      4  -0.295590D+01  0.441276D+00 -0.540581D+00 -0.118581D+01  0.117451D+01
      5  -0.108236D+01  0.169151D+01  0.193985D+01 -0.109963D+01  0.347260D+01
      6  -0.179157D+01 -0.488418D+00  0.389624D+00 -0.196752D+01 -0.206888D+01
               256           257           258           259           260 
      1   0.987045D+00 -0.124778D+01  0.404395D+00 -0.273233D+00 -0.421850D+01
      2  -0.559837D+00 -0.169963D+01  0.326585D+01 -0.406826D+01  0.375310D+01
      3  -0.427208D+00  0.294741D+01 -0.367024D+01  0.434149D+01  0.465406D+00
      4  -0.146992D+01 -0.134838D+01 -0.122783D+00  0.314466D+01  0.263425D+01
      5  -0.147387D+01 -0.109692D+01 -0.217576D+01  0.618489D+01  0.131839D+01
      6  -0.141880D+01  0.788041D+00  0.221931D+01  0.360172D+01  0.543256D+01
               261           262           263           264           265 
      1  -0.141667D+02  0.205874D+02  0.821049D+01 -0.179429D+01  0.123394D+02
      2  -0.200617D+02 -0.112658D+02 -0.540470D+01  0.237735D+01 -0.795647D+01
      3   0.342284D+02 -0.932156D+01 -0.280579D+01 -0.583060D+00 -0.438292D+01
      4   0.150044D+01  0.948654D+01  0.963712D+01 -0.217952D+01  0.602101D+01
      5   0.134166D+02 -0.635202D+01 -0.338976D+01  0.439604D+01 -0.850968D+01
      6   0.180413D+02 -0.342089D+01 -0.356463D+01  0.114054D+01 -0.284764D+01
               266           267           268           269           270 
      1   0.724292D+01 -0.257495D+01  0.495041D+01  0.638218D+00  0.601245D+00
      2  -0.393609D+01  0.343597D+01 -0.156476D+01  0.286987D+00 -0.242714D+01
      3  -0.330683D+01 -0.861016D+00 -0.338565D+01 -0.925204D+00  0.182590D+01
      4   0.116364D+02 -0.393586D-01 -0.351600D+01  0.249306D+01  0.363859D+01
      5  -0.218067D+01  0.499655D+01  0.110791D+01  0.315509D+01 -0.113680D+01
      6  -0.474808D+01  0.517845D+00  0.111466D+01 -0.444432D-01 -0.144504D+01
               271           272           273           274           275 
      1  -0.226360D+01  0.700379D+00 -0.331377D+01  0.135354D+01 -0.146019D+01
      2  -0.352517D+00 -0.211427D+00 -0.975792D+00 -0.150851D+01 -0.152576D+01
      3   0.261611D+01 -0.488952D+00  0.428957D+01  0.154970D+00  0.298595D+01
      4   0.463079D+01 -0.600463D+00 -0.106101D+01  0.192260D+01 -0.681918D+00
      5   0.102406D+01 -0.159923D+01  0.948772D+00 -0.154894D+01 -0.241615D+01
      6  -0.606748D+00 -0.536900D+00  0.111974D+01 -0.122154D+01  0.105379D+01
               276           277           278           279           280 
      1  -0.900339D+00 -0.186142D+01  0.168657D+00 -0.148411D+02 -0.437238D+01
      2   0.218037D+01  0.553579D+01  0.207336D+01 -0.192177D+02  0.694478D+01
      3  -0.128003D+01 -0.367437D+01 -0.224202D+01  0.340588D+02 -0.257240D+01
      4  -0.257152D+01  0.192679D+01 -0.420652D+01  0.245361D+01  0.859147D+01
      5   0.121194D+01  0.821490D+01  0.867298D+00 -0.215007D+02 -0.393807D+01
      6   0.476002D+01 -0.139514D+01  0.334973D+01  0.615083D+01 -0.112195D+01
               281           282           283           284           285 
      1  -0.805730D+01  0.298688D+01 -0.644371D+01 -0.153229D+02  0.327159D+01
      2   0.115145D+02 -0.216834D+01  0.836628D+01  0.255311D+02 -0.257983D+01
      3  -0.345725D+01 -0.818543D+00 -0.192257D+01 -0.102082D+02 -0.691763D+00
      4   0.349803D+01  0.960478D+00  0.801885D+01  0.643915D+01 -0.140063D+01
      5  -0.183876D+01 -0.259498D+00 -0.327647D+01 -0.318808D+01  0.522143D+00
      6  -0.816765D+01  0.448886D+01 -0.301139D+01 -0.835108D+01  0.514979D+01
               286           287           288           289           290 
      1  -0.290854D+00 -0.681712D+00 -0.331214D+01 -0.107217D+01 -0.190535D+01
      2   0.762074D+00  0.420062D+01  0.146619D+01 -0.193267D+01  0.170937D+01
      3  -0.471220D+00 -0.351891D+01  0.184595D+01  0.300484D+01  0.195979D+00
      4   0.287897D+01 -0.397419D+01  0.318514D+01 -0.716413D+00  0.781983D+00
      5  -0.593016D+00  0.926158D+00 -0.130528D+01  0.150312D+01 -0.732758D+00
      6   0.299116D+01  0.154823D+01 -0.129648D+01 -0.177593D+01 -0.203970D+01
               291           292           293           294           295 
      1   0.287581D+01  0.242153D-01 -0.183310D+01 -0.361312D+00  0.245895D+01
      2  -0.990844D+00  0.418357D+00 -0.757279D+00 -0.370674D+01 -0.681279D+00
      3  -0.188496D+01 -0.442572D+00  0.259038D+01  0.406805D+01 -0.177767D+01
      4  -0.198528D+01 -0.139339D+01  0.471318D+01 -0.988652D+00 -0.417962D+01
      5   0.435971D+01 -0.356010D-01 -0.875929D+00  0.157662D+01  0.349650D+01
      6   0.167503D+01 -0.200805D+01  0.425102D+00  0.132485D+01  0.246064D+00
               296           297           298           299           300 
      1   0.529842D+01 -0.197846D+02 -0.318664D+01  0.330848D+01  0.113847D+00
      2  -0.135273D+01 -0.142634D+02  0.500387D+01 -0.336667D+01  0.390303D+00
      3  -0.394569D+01  0.340480D+02 -0.181722D+01  0.581956D-01 -0.504150D+00
      4   0.231837D+01  0.181472D+01 -0.168655D+01  0.219348D+00 -0.199792D+01
      5  -0.201944D+01  0.886576D+01 -0.250195D+01 -0.324974D+00 -0.123357D+01
      6   0.809381D+01 -0.205574D+02 -0.101559D+01 -0.419997D+01 -0.184012D+01
               301           302           303           304           305 
      1   0.549484D+01 -0.194230D+02 -0.381306D+01 -0.314720D+01 -0.172232D+01
      2  -0.391512D+01  0.303901D+02  0.288406D+01  0.229374D+01 -0.167027D+01
      3  -0.157972D+01 -0.109671D+02  0.929001D+00  0.853454D+00  0.339259D+01
      4   0.514247D+01  0.960940D+01  0.198726D+01 -0.330905D+01 -0.344168D+01
      5   0.296954D+01 -0.375489D+00  0.211810D+01 -0.166482D+01  0.445147D+00
      6   0.434354D-01  0.124267D+02  0.613264D+01 -0.159075D+01  0.256794D+01
               306           307           308           309           310 
      1  -0.479716D+01 -0.998577D+00  0.293153D+00  0.350096D+01 -0.271495D+01
      2   0.296268D+01 -0.201214D+01  0.644636D-01 -0.169522D+00  0.241459D+01
      3   0.183448D+01  0.301071D+01 -0.357616D+00 -0.333144D+01  0.300355D+00
      4  -0.527709D+00 -0.879948D+00 -0.156720D+01  0.227725D+00 -0.198330D+01
      5  -0.723544D+00  0.134339D+01 -0.103070D+01  0.278358D+01 -0.165211D+01
      6   0.165643D+01 -0.523473D+00 -0.197305D+01 -0.225624D+01 -0.167961D+01
               311           312           313           314           315 
      1  -0.469686D+01 -0.119851D+01  0.356561D+01 -0.437148D+01 -0.203213D+02
      2   0.212130D+01  0.430441D+01 -0.345583D+01  0.441489D-01 -0.138857D+02
      3   0.257556D+01 -0.310590D+01 -0.109783D+00  0.432734D+01  0.342070D+02
      4  -0.184998D+01  0.461349D+00  0.323040D+01  0.297981D+01  0.663742D+00
      5  -0.216751D+00 -0.218542D+01  0.482353D+01  0.338872D+01  0.161442D+02
      6   0.152350D+01  0.291274D+01  0.111849D+01  0.677902D+01  0.155900D+02
               316           317           318           319           320 
      1   0.604757D+01 -0.294433D+01  0.892997D+00 -0.872527D+01  0.630300D+00
      2  -0.736419D-01 -0.982891D+00 -0.738986D+00  0.333787D+01  0.608086D+01
      3  -0.597392D+01  0.392722D+01 -0.154011D+00  0.538740D+01 -0.671116D+01
      4  -0.909326D+01  0.103733D+02  0.196217D+01  0.100463D+02 -0.209661D+02
      5  -0.102885D+01  0.206466D+01  0.167505D+01  0.716250D+01 -0.378492D+01
      6   0.183852D+01 -0.322426D+01 -0.161759D+01 -0.446618D+01  0.895992D+01
               321           322           323           324           325 
      1   0.143020D+01  0.644578D+01 -0.143182D+01 -0.243532D+01 -0.476417D+01
      2  -0.249548D+01 -0.364918D+01 -0.722329D+00  0.583046D+00  0.201290D+01
      3   0.106529D+01 -0.279660D+01  0.215415D+01  0.185227D+01  0.275126D+01
      4  -0.313302D+01  0.924583D+00  0.167066D+01 -0.364804D+01 -0.128411D+01
      5  -0.552857D+01 -0.545856D+00 -0.293891D+01 -0.502910D+00  0.140319D+01
      6   0.328342D+01 -0.872543D+00  0.167618D+01  0.180210D+01 -0.885534D+00
               326           327           328           329           330 
      1   0.662852D+00 -0.255387D+01  0.201589D+01 -0.140239D+01 -0.353071D+00
      2  -0.119231D+01 -0.190774D+01 -0.190471D+01 -0.140499D+01  0.869100D+00
      3   0.529458D+00  0.446160D+01 -0.111177D+00  0.280738D+01 -0.516029D+00
      4   0.664130D+00  0.354401D+00  0.310696D+01 -0.789331D+00 -0.326968D+01
      5  -0.411463D+00  0.679456D+00 -0.669848D+00 -0.286131D+01  0.473321D+00
      6  -0.776988D+00  0.551990D+00 -0.137985D+01  0.994851D+00  0.501993D+01
               331           332           333 
      1  -0.329071D+01 -0.231544D+01 -0.172025D+02
      2   0.587287D+01 -0.113738D+01 -0.169124D+02
      3  -0.258217D+01  0.345282D+01  0.341150D+02
      4  -0.212662D+00 -0.384064D+01 -0.324809D+01
      5   0.775941D+01 -0.265409D+01 -0.222649D+02
      6  -0.418194D+00  0.386654D+01  0.255475D+01
 Leave Link  716 at Fri Jul 23 18:11:35 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150794D+03 -0.444950D-01  0.198007D-03
      2  -0.444950D-01  0.150836D+03 -0.117160D-01
      3   0.198007D-03 -0.117160D-01  0.124926D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.670759D+00  0.859960D-01  0.894566D-01
      2   0.666268D-01 -0.679131D+00  0.754142D-01
      3  -0.711352D-01 -0.114646D+00 -0.370382D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.557005D+02  0.832519D+02  0.850779D-01
      2  -0.557772D+02 -0.832490D+02 -0.739895D-01
      3   0.767719D-01 -0.286188D-02 -0.110884D-01
      4   0.832154D+02 -0.557099D+02  0.106034D-01
      5  -0.499096D-01  0.426692D+01  0.124232D+00
      6  -0.420274D+01 -0.310635D-01 -0.107457D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.298116D+01 -0.883660D+00 -0.262066D+01 -0.102777D+01 -0.279772D+01
      2  -0.883660D+00 -0.460382D+01  0.118422D+01 -0.279772D+01  0.584756D+01
      3  -0.262066D+01  0.118422D+01  0.870168D+00  0.430170D+00 -0.328284D+01
                 6             7             8             9            10 
      1   0.430170D+00 -0.197139D+01  0.636599D+00  0.961917D+00 -0.154342D+01
      2  -0.328284D+01  0.636599D+00 -0.292331D+01  0.953228D+00  0.361506D+01
      3   0.721937D+00  0.961917D+00  0.953228D+00  0.693535D+00  0.329703D+01
                11            12            13            14            15 
      1   0.361506D+01  0.329703D+01  0.279542D+01  0.327645D+01  0.403905D+00
      2   0.484696D+01  0.111304D+01  0.327645D+01  0.941107D+00  0.262527D+01
      3   0.111304D+01 -0.549199D+00  0.403905D+00  0.262527D+01  0.999626D+00
                16            17            18            19            20 
      1   0.257045D+01  0.771427D+00 -0.551294D+00  0.323415D+00 -0.239558D+01
      2   0.771427D+00  0.237939D+01  0.118553D+01 -0.239558D+01 -0.302268D+01
      3  -0.551294D+00  0.118553D+01 -0.736944D+00 -0.206472D+01 -0.102372D+01
                21            22            23            24            25 
      1  -0.206472D+01 -0.395118D+01 -0.536789D+01 -0.219446D+01 -0.266900D+01
      2  -0.102372D+01 -0.536789D+01 -0.582994D+01 -0.457587D+01 -0.154260D+01
      3  -0.133322D+01 -0.219446D+01 -0.457587D+01 -0.232911D+01 -0.159950D+01
                26            27            28            29            30 
      1  -0.154260D+01 -0.159950D+01 -0.108872D+01 -0.156089D+01 -0.612894D-02
      2  -0.307738D+01 -0.188316D+01 -0.156089D+01  0.100656D+01 -0.189681D+01
      3  -0.188316D+01  0.126808D+01 -0.612894D-02 -0.189681D+01 -0.374704D-02
                31            32            33            34            35 
      1  -0.157446D+01  0.101274D+01  0.187944D+01  0.507512D-03 -0.957522D-02
      2   0.101274D+01  0.155616D+01 -0.210327D-01 -0.957522D-02 -0.121831D-01
      3   0.187944D+01 -0.210327D-01  0.379212D-02 -0.113991D-01 -0.860871D-02
                36            37            38            39            40 
      1  -0.113991D-01 -0.153555D+01  0.731493D+00  0.128251D+01  0.239391D+00
      2  -0.860871D-02  0.731493D+00  0.281155D+00  0.374899D+00  0.309197D+01
      3  -0.846097D-02  0.128251D+01  0.374899D+00  0.337559D+00 -0.836609D+00
                41            42            43            44            45 
      1   0.309197D+01 -0.836609D+00  0.160448D+01 -0.924051D+00  0.756646D+00
      2  -0.102225D+02  0.535874D+01 -0.924051D+00  0.409099D+01 -0.231286D+01
      3   0.535874D+01 -0.264271D+01  0.756646D+00 -0.231286D+01 -0.126806D+01
                46            47            48            49            50 
      1   0.406442D+01  0.507415D+01  0.414744D+01  0.291062D+01  0.340540D+01
      2   0.507415D+01  0.529900D+01  0.247810D+01  0.340540D+01  0.103731D+01
      3   0.414744D+01  0.247810D+01  0.214556D+01  0.128532D+01  0.251107D+01
                51            52            53            54            55 
      1   0.128532D+01  0.270195D+01  0.155064D+01  0.164869D+01  0.259179D+00
      2   0.251107D+01  0.155064D+01  0.307322D+01  0.183978D+01 -0.237974D+01
      3   0.161337D+01  0.164869D+01  0.183978D+01 -0.124674D+01 -0.242653D+01
                56            57            58            59            60 
      1  -0.237974D+01 -0.242653D+01 -0.375993D+01 -0.467897D+01 -0.100571D+01
      2  -0.367294D+01 -0.291217D+00 -0.467897D+01  0.318505D-01 -0.352107D+01
      3  -0.291217D+00 -0.105338D+01 -0.100571D+01 -0.352107D+01  0.436926D+00
                61            62            63            64            65 
      1  -0.210503D+01 -0.714922D+00 -0.124901D+01 -0.698798D+01  0.157998D+01
      2  -0.714922D+00 -0.276387D+01  0.374236D+00  0.157998D+01  0.198066D+01
      3  -0.124901D+01  0.374236D+00  0.729300D+00  0.346672D+01 -0.322498D+00
                66            67            68            69            70 
      1   0.346672D+01  0.347361D+01  0.207486D+01 -0.112379D+01  0.308281D+01
      2  -0.322498D+00  0.207486D+01 -0.243345D+01  0.246945D+01 -0.505621D+00
      3  -0.604768D+00 -0.112379D+01  0.246945D+01 -0.963313D+00 -0.825852D+00
                71            72            73            74            75 
      1  -0.505621D+00 -0.825852D+00  0.107925D+02 -0.147826D+01 -0.536183D+01
      2   0.183723D+01 -0.107000D+01 -0.147826D+01 -0.101807D+01  0.297880D+00
      3  -0.107000D+01 -0.691887D+00 -0.536183D+01  0.297880D+00  0.267037D+01
                76            77            78            79            80 
      1   0.130028D+01 -0.113047D+01 -0.880614D+00 -0.433318D+01  0.567510D+00
      2  -0.113047D+01  0.118050D+01 -0.130531D+01  0.567510D+00 -0.141141D+01
      3  -0.880614D+00 -0.130531D+01  0.606768D-02  0.241462D+01 -0.442223D+00
                81            82            83            84            85 
      1   0.241462D+01 -0.510376D+00  0.171440D+01 -0.254445D+01  0.472443D+00
      2  -0.442223D+00  0.171440D+01 -0.655659D+01  0.248203D+01 -0.401510D+01
      3   0.124357D+01 -0.254445D+01  0.248203D+01 -0.136079D+01  0.129502D+01
                86            87            88            89            90 
      1  -0.401510D+01  0.129502D+01 -0.163100D+01  0.982713D+00 -0.833159D+00
      2   0.672408D+01 -0.406858D+01  0.982713D+00 -0.412788D+01  0.231958D+01
      3  -0.406858D+01  0.228063D+01 -0.833159D+00  0.231958D+01  0.123596D+01
                91            92            93            94            95 
      1  -0.120866D+01  0.153044D+01  0.214094D+01  0.508047D+00  0.441533D+01
      2   0.153044D+01  0.292137D+01  0.213584D+00  0.441533D+01 -0.530169D+01
      3   0.214094D+01  0.213584D+00  0.115060D+01 -0.492637D+00  0.382196D+01
                96            97            98            99           100 
      1  -0.492637D+00  0.174257D+01 -0.352326D+00  0.131566D+01  0.662091D+01
      2   0.382196D+01 -0.352326D+00  0.319495D+01 -0.160810D+00 -0.318895D+01
      3  -0.464568D-01  0.131566D+01 -0.160810D+00 -0.660147D+00 -0.381894D+01
               101           102           103           104           105 
      1  -0.318895D+01 -0.381894D+01 -0.152489D+01 -0.247095D+01 -0.472378D+00
      2  -0.168889D+01  0.268328D+00 -0.247095D+01  0.617266D+00 -0.214575D+01
      3   0.268328D+00  0.190558D+00 -0.472378D+00 -0.214575D+01 -0.113373D+01
               106           107           108           109           110 
      1  -0.322898D+01  0.145455D+00  0.352031D+00 -0.859255D+01  0.318066D+01
      2   0.145455D+00 -0.168909D+01 -0.128340D+01  0.318066D+01  0.451601D+00
      3   0.352031D+00 -0.128340D+01  0.658119D+00  0.457645D+01 -0.105797D+01
               111           112           113           114           115 
      1   0.457645D+01  0.579892D+01 -0.463986D+00 -0.219995D+01  0.427355D+01
      2  -0.105797D+01 -0.463986D+00  0.239583D+00  0.207556D+01 -0.611693D+00
      3  -0.246868D+01 -0.219995D+01  0.207556D+01  0.102701D+01 -0.240322D+01
               116           117           118           119           120 
      1  -0.611693D+00 -0.240322D+01  0.108192D+02  0.606846D-01 -0.286652D+01
      2   0.141157D+01  0.508849D+00  0.606846D-01  0.996353D+00  0.507408D-01
      3   0.508849D+00 -0.123085D+01 -0.286652D+01  0.507408D-01  0.200151D+01
               121           122           123           124           125 
      1  -0.217442D+01  0.118920D+01  0.872778D+00 -0.293953D+01  0.599259D-01
      2   0.118920D+01  0.132127D+00 -0.791995D+00  0.599259D-01 -0.507802D+00
      3   0.872778D+00 -0.791995D+00 -0.269394D+00  0.249605D+01  0.164010D+00
               126           127           128           129           130 
      1   0.249605D+01 -0.709430D-01  0.697111D+00 -0.872914D+00  0.100921D+01
      2   0.164010D+00  0.697111D+00 -0.673165D+00  0.220910D+00  0.463007D+00
      3  -0.149844D+01 -0.872914D+00  0.220910D+00 -0.341205D+00 -0.128138D+00
               131           132           133           134           135 
      1   0.463007D+00 -0.128138D+00 -0.124460D+01 -0.372579D+00  0.381435D+00
      2   0.475888D+01 -0.218471D+01 -0.372579D+00 -0.179315D+01  0.176133D+01
      3  -0.218471D+01  0.226519D+01  0.381435D+00  0.176133D+01 -0.219478D+01
               136           137           138           139           140 
      1   0.573880D+01  0.294411D+01  0.169308D+01  0.445425D+01  0.396730D+01
      2   0.294411D+01  0.250151D+01  0.739249D+00  0.396730D+01  0.426574D+01
      3   0.169308D+01  0.739249D+00  0.143388D+01  0.150568D+01  0.199504D+01
               141           142           143           144           145 
      1   0.150568D+01  0.198575D+01  0.118162D+01  0.206584D+01  0.205435D+01
      2   0.199504D+01  0.118162D+01  0.143998D+01  0.137278D+01 -0.108574D+01
      3   0.141697D+01  0.206584D+01  0.137278D+01  0.146023D+01  0.131756D+01
               146           147           148           149           150 
      1  -0.108574D+01  0.131756D+01 -0.203669D+01  0.162652D+01 -0.828092D+00
      2   0.928365D+00 -0.447417D+00  0.162652D+01 -0.298207D+01  0.174273D+01
      3  -0.447417D+00  0.109315D+01 -0.828092D+00  0.174273D+01 -0.201998D+01
               151           152           153           154           155 
      1   0.179660D+01 -0.346429D+00  0.136737D+01 -0.229583D+01  0.183566D+01
      2  -0.346429D+00  0.124966D+01 -0.116178D+01  0.183566D+01 -0.196682D+01
      3   0.136737D+01 -0.116178D+01  0.220353D+01 -0.936445D+00  0.339287D+00
               156           157           158           159           160 
      1  -0.936445D+00  0.272636D+01 -0.388675D+01  0.107810D+01 -0.110180D+01
      2   0.339287D+00 -0.388675D+01  0.846216D+01 -0.272926D+01  0.108354D+01
      3  -0.812920D+00  0.107810D+01 -0.272926D+01  0.185932D+01 -0.140136D+01
               161           162           163           164           165 
      1   0.108354D+01 -0.140136D+01 -0.376518D+01 -0.882274D+00 -0.185224D+01
      2  -0.237408D+01  0.208808D+01 -0.882274D+00 -0.921697D+00 -0.371524D+00
      3   0.208808D+01 -0.148954D+01 -0.185224D+01 -0.371524D+00 -0.175926D+01
               166           167           168           169           170 
      1  -0.198653D+01 -0.124370D+01 -0.743602D+00 -0.198073D+01 -0.324293D-01
      2  -0.124370D+01 -0.145032D+01 -0.124417D+01 -0.324293D-01 -0.107877D+01
      3  -0.743602D+00 -0.124417D+01 -0.140921D+01 -0.170026D+01 -0.560141D+00
               171           172           173           174           175 
      1  -0.170026D+01 -0.965332D+01  0.323024D+01  0.287810D+01  0.112402D+01
      2  -0.560141D+00  0.323024D+01 -0.203718D+01 -0.824089D+00 -0.141443D+01
      3  -0.223222D+01  0.287810D+01 -0.824089D+00 -0.193742D+01 -0.570078D-01
               176           177           178           179           180 
      1  -0.141443D+01 -0.570078D-01  0.263798D+01 -0.882260D+00 -0.226549D+01
      2   0.152987D+01  0.800508D+00 -0.882260D+00  0.855231D+00  0.111410D+01
      3   0.800508D+00  0.544343D+00 -0.226549D+01  0.111410D+01  0.150611D+01
               181           182           183           184           185 
      1   0.111611D+01  0.101657D+01  0.111650D+01  0.865595D+00  0.647799D+00
      2   0.101657D+01  0.179715D+01  0.647505D+00  0.647799D+00  0.416126D+01
      3   0.111650D+01  0.647505D+00  0.115916D+01  0.285237D+00  0.197808D+01
               186           187           188           189           190 
      1   0.285237D+00  0.107480D+01 -0.861497D-01  0.318273D+00 -0.297311D+01
      2   0.197808D+01 -0.861497D-01  0.197765D+01  0.176813D+01 -0.345554D+01
      3   0.194437D+01  0.318273D+00  0.176813D+01  0.222311D+01 -0.169232D+01
               191           192           193           194           195 
      1  -0.345554D+01 -0.169232D+01 -0.218932D+01 -0.286252D+01 -0.729186D+00
      2  -0.462604D+01 -0.149385D+01 -0.286252D+01 -0.702871D+01 -0.199157D+01
      3  -0.149385D+01 -0.121530D+01 -0.729186D+00 -0.199157D+01 -0.162276D+01
               196           197           198           199           200 
      1  -0.113794D+01 -0.106824D+01 -0.107637D+01  0.348830D+01 -0.159458D+01
      2  -0.106824D+01 -0.233902D+01 -0.222617D+01 -0.159458D+01  0.184275D+01
      3  -0.107637D+01 -0.222617D+01 -0.145792D+01 -0.187882D+01  0.745033D+00
               201           202           203           204           205 
      1  -0.187882D+01 -0.777160D+00  0.965576D+00  0.360237D+00 -0.135229D+01
      2   0.745033D+00  0.965576D+00 -0.150997D+01 -0.118442D+01  0.413956D+00
      3   0.213366D+01  0.360237D+00 -0.118442D+01 -0.815832D+00  0.133894D+01
               206           207           208           209           210 
      1   0.413956D+00  0.133894D+01  0.369949D+00 -0.159538D+01  0.934032D+00
      2  -0.172809D+01 -0.120067D+01 -0.159538D+01  0.311859D+01 -0.109961D+01
      3  -0.120067D+01 -0.220713D+01  0.934032D+00 -0.109961D+01  0.508885D+00
               211           212           213           214           215 
      1  -0.110189D+01  0.100392D+01 -0.310361D+00  0.548492D+00 -0.361569D+00
      2   0.100392D+01 -0.103807D+02  0.273027D+01 -0.361569D+00  0.288800D+01
      3  -0.310361D+00  0.273027D+01 -0.195275D+01  0.148958D+00 -0.249760D+01
               216           217           218           219           220 
      1   0.148958D+00 -0.460129D+01 -0.848829D+00  0.213730D+01  0.226796D+00
      2  -0.249760D+01 -0.848829D+00 -0.116658D+01  0.316407D+00 -0.707234D+00
      3   0.148953D+01  0.213730D+01  0.316407D+00 -0.227109D+01 -0.467235D-01
               221           222           223           224           225 
      1  -0.707234D+00 -0.467235D-01  0.167624D+01  0.421997D+00 -0.169282D+01
      2  -0.329939D+00  0.906338D+00  0.421997D+00  0.138208D+01 -0.620922D+00
      3   0.906338D+00  0.404802D-01 -0.169282D+01 -0.620922D+00  0.220812D+01
               226           227           228           229           230 
      1   0.495185D+01 -0.158657D+01  0.737706D+00 -0.192551D+01  0.868506D+00
      2  -0.158657D+01  0.292407D+01 -0.110091D+01  0.868506D+00 -0.281001D+00
      3   0.737706D+00 -0.110091D+01  0.122493D+01 -0.128160D+00 -0.682267D+00
               231           232           233           234           235 
      1  -0.128160D+00  0.121632D+00  0.848715D-01  0.585419D+00  0.627008D+00
      2  -0.682267D+00  0.848715D-01 -0.194649D+01  0.521692D+00 -0.366373D+00
      3  -0.322680D-01  0.585419D+00  0.521692D+00  0.212003D+00  0.674906D+00
               236           237           238           239           240 
      1  -0.366373D+00  0.674906D+00 -0.487211D+00 -0.493508D+00  0.242956D+00
      2  -0.101636D+01  0.323117D+00 -0.493508D+00  0.158068D+01 -0.295017D+00
      3   0.323117D+00 -0.180955D+00  0.242956D+00 -0.295017D+00  0.698280D+00
               241           242           243           244           245 
      1   0.917914D+00 -0.463281D-01  0.882367D+00 -0.623164D+01 -0.390579D+00
      2  -0.463281D-01  0.177395D+01 -0.105454D+01 -0.390579D+00 -0.187856D+01
      3   0.882367D+00 -0.105454D+01  0.689396D+01 -0.963534D+00 -0.412070D+00
               246           247           248           249           250 
      1  -0.963534D+00  0.141812D+00  0.128735D+00  0.548193D+00  0.279474D+00
      2  -0.412070D+00  0.128735D+00  0.890719D+00  0.908904D+00  0.788497D+00
      3  -0.114179D+01  0.548193D+00  0.908904D+00  0.446208D+00 -0.315440D+00
               251           252           253           254           255 
      1   0.788497D+00 -0.315440D+00 -0.540060D+00  0.718773D+00 -0.323433D+00
      2   0.161999D+01  0.725775D+00  0.718773D+00  0.132645D+01  0.581645D+00
      3   0.725775D+00 -0.194447D+00 -0.323433D+00  0.581645D+00  0.430110D+00
               256           257           258           259           260 
      1   0.399183D+00  0.872728D+00  0.498786D+00 -0.107311D+01 -0.339568D+00
      2   0.872728D+00  0.455670D+00 -0.536172D-01 -0.339568D+00 -0.161918D+01
      3   0.498786D+00 -0.536172D-01  0.579768D+00 -0.123166D+01 -0.630091D+00
               261           262           263           264           265 
      1  -0.123166D+01 -0.363123D+01 -0.182790D+01  0.202602D+00 -0.342638D+01
      2  -0.630091D+00 -0.182790D+01 -0.218536D+01  0.435615D+00 -0.913899D+00
      3  -0.690773D+01  0.202602D+00  0.435615D+00 -0.639787D+00  0.138262D+01
               266           267           268           269           270 
      1  -0.913899D+00  0.138262D+01 -0.148969D+01  0.851212D+00  0.155024D+00
      2  -0.223943D+01 -0.142877D+00  0.851212D+00 -0.326522D+00 -0.761512D+00
      3  -0.142877D+00 -0.102897D+01  0.155024D+00 -0.761512D+00  0.210605D+00
               271           272           273           274           275 
      1   0.145125D+01 -0.101995D+01 -0.299581D+00 -0.490547D+00 -0.451336D+00
      2  -0.101995D+01 -0.281410D+00  0.314979D+00 -0.451336D+00  0.282907D+00
      3  -0.299581D+00  0.314979D+00  0.688862D+00  0.224527D+00  0.690955D+00
               276           277           278           279           280 
      1   0.224527D+00  0.159286D+01 -0.345767D+00 -0.134256D+01  0.187936D+01
      2   0.690955D+00 -0.345767D+00  0.109100D+01 -0.246888D+00  0.489462D+00
      3  -0.192819D+00 -0.134256D+01 -0.246888D+00  0.686532D+01  0.377293D+00
               281           282           283           284           285 
      1   0.489462D+00  0.377293D+00  0.200463D+01  0.163608D+01 -0.345285D+00
      2   0.311288D+01 -0.133505D+01  0.163608D+01  0.455787D+01 -0.443090D+00
      3  -0.133505D+01  0.962354D+00 -0.345285D+00 -0.443090D+00  0.776514D+00
               286           287           288           289           290 
      1   0.556607D+00 -0.992809D+00  0.789875D+00 -0.391457D+00  0.179274D+00
      2  -0.992809D+00  0.130613D+01 -0.782599D-01  0.179274D+00  0.735825D+00
      3   0.789875D+00 -0.782599D-01 -0.209020D+00 -0.602269D+00 -0.339932D+00
               291           292           293           294           295 
      1  -0.602269D+00 -0.568792D-01  0.124115D+01 -0.432788D+00 -0.119622D+01
      2  -0.339932D+00  0.124115D+01 -0.105988D+01  0.211673D+00  0.403561D+00
      3   0.291465D+00 -0.432788D+00  0.211673D+00 -0.655614D+00  0.743515D-01
               296           297           298           299           300 
      1   0.403561D+00  0.743515D-01 -0.109158D+01 -0.209166D+00 -0.882924D+00
      2  -0.150226D+01  0.136880D+01 -0.209166D+00 -0.999206D+00 -0.791411D+00
      3   0.136880D+01 -0.686783D+01 -0.882924D+00 -0.791411D+00 -0.586193D+00
               301           302           303           304           305 
      1   0.175102D+01 -0.189496D+00  0.189253D+00 -0.139051D+01 -0.927432D+00
      2  -0.189496D+00  0.619885D+01  0.930472D+00 -0.927432D+00 -0.487555D+00
      3   0.189253D+00  0.930472D+00  0.107918D+01 -0.742011D+00  0.228771D+00
               306           307           308           309           310 
      1  -0.742011D+00 -0.768997D-01 -0.715479D+00  0.211187D+00 -0.112988D+01
      2   0.228771D+00 -0.715479D+00 -0.659754D+00 -0.506003D+00 -0.103445D+01
      3   0.199875D+00  0.211187D+00 -0.506003D+00 -0.521605D+00 -0.598195D+00
               311           312           313           314           315 
      1  -0.103445D+01 -0.598195D+00  0.153192D+01  0.392396D+00  0.460140D+00
      2   0.238921D+00  0.185963D+00  0.392396D+00  0.116805D+01  0.129280D+01
      3   0.185963D+00 -0.505251D+00  0.460140D+00  0.129280D+01  0.689979D+01
               316           317           318           319           320 
      1   0.102716D+01 -0.126886D+01  0.472339D+00 -0.324897D+01  0.164678D+01
      2  -0.126886D+01  0.226149D+01  0.294600D+00  0.164678D+01 -0.421963D+01
      3   0.472339D+00  0.294600D+00  0.200736D+00  0.126005D+01 -0.544282D+00
               321           322           323           324           325 
      1   0.126005D+01  0.192705D+01  0.188663D+00 -0.434309D+00 -0.177518D+01
      2  -0.544282D+00  0.188663D+00 -0.111540D+00 -0.649676D+00  0.136229D+00
      3  -0.121130D+01 -0.434309D+00 -0.649676D+00 -0.217208D+00  0.350577D+00
               326           327           328           329           330 
      1   0.136229D+00  0.350577D+00  0.667986D+00  0.588349D+00 -0.188604D+00
      2   0.642391D+00 -0.107104D+00  0.588349D+00 -0.421903D+00 -0.735256D+00
      3  -0.107104D+00 -0.712194D+00 -0.188604D+00 -0.735256D+00  0.914865D-01
               331           332           333 
      1  -0.177862D+01 -0.622328D-01  0.116211D+01
      2  -0.622328D-01 -0.919498D+00 -0.738155D+00
      3   0.116211D+01 -0.738155D+00 -0.688138D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103808D+02 -0.663743D+01  0.572714D+01 -0.535605D+01 -0.226438D+01
      2   0.916922D-01  0.269719D+01  0.290666D+01  0.161691D+01  0.224496D+01
      3  -0.963844D+01  0.284342D+01  0.843235D+01  0.606202D+01  0.882371D+01
                 6             7             8             9            10 
      1  -0.807242D+01  0.120013D+01 -0.260137D+01  0.198698D+01  0.409948D+01
      2   0.698206D+00 -0.518922D-01 -0.176876D-01 -0.127418D+01 -0.295811D+01
      3   0.114159D+01  0.932021D+01  0.249193D+01 -0.437484D+01  0.101305D+02
                11            12            13            14            15 
      1  -0.792900D+01 -0.684964D+01 -0.622597D+01  0.879940D+01 -0.566768D+01
      2   0.182406D+01  0.547770D+01  0.232548D+01  0.182567D+00  0.330758D+00
      3  -0.501984D+01 -0.738963D+01 -0.191233D+01 -0.930253D+01  0.453321D+01
                16            17            18            19            20 
      1  -0.214701D+01 -0.237401D+01 -0.245703D+01 -0.584624D+00 -0.226762D+01
      2   0.845341D+00  0.824269D+00 -0.387254D+00  0.223315D+02  0.165499D+02
      3  -0.762696D+01  0.627540D+01  0.452676D+01 -0.232623D+02 -0.195384D+02
                21            22            23            24            25 
      1   0.289677D+01 -0.648572D+01 -0.215093D+02 -0.202900D+01  0.132840D+02
      2   0.101793D+02  0.512465D+01 -0.234346D+01 -0.528241D+01 -0.124500D+02
      3  -0.100015D+02  0.535564D+01  0.224981D+02  0.773102D+01 -0.231239D+01
                26            27            28            29            30 
      1   0.209001D+02  0.200463D+02  0.222881D+01  0.344178D+01  0.978979D-01
      2  -0.169271D+02 -0.201709D+02  0.300247D+01 -0.194661D+01 -0.129105D+02
      3   0.525713D+01  0.155379D+01 -0.149425D+00  0.170682D+02 -0.244664D+00
                31            32            33            34            35 
      1   0.355025D+01 -0.234718D+01  0.131341D+02  0.128284D+00 -0.152332D+02
      2  -0.203149D+01 -0.344546D+01  0.115214D+00  0.154824D+02  0.122545D+00
      3  -0.169890D+02 -0.392662D+00 -0.765002D-01 -0.143008D+00  0.133553D+00
                36            37            38            39            40 
      1   0.496251D-01  0.474896D+01 -0.250820D+01  0.121672D+01 -0.200256D+01
      2  -0.232960D+00  0.993774D+01 -0.229563D+02  0.119340D+02 -0.108121D+02
      3  -0.157885D+00  0.114922D+02 -0.338473D+02  0.122823D+02 -0.899744D+01
                41            42            43            44            45 
      1   0.234088D+02 -0.261526D+00 -0.584090D+01  0.305141D+02 -0.261544D+02
      2   0.355546D+00  0.102366D+01 -0.294259D+01  0.930057D+01 -0.107976D+02
      3  -0.103749D+02  0.306534D+01  0.419321D+01  0.359337D+01 -0.143633D+01
                46            47            48            49            50 
      1   0.200059D+01 -0.279601D+01  0.610352D+01 -0.136968D+02 -0.249384D+02
      2   0.204899D+02  0.859582D+01  0.311534D+01  0.298283D+01 -0.110762D+01
      3  -0.235077D+02 -0.112446D+02 -0.878799D+01  0.136104D+02  0.243821D+02
                51            52            53            54            55 
      1  -0.909747D+01  0.173698D+02  0.163616D+02  0.224583D+02  0.171229D+01
      2  -0.379574D+01 -0.170129D+02 -0.138266D+02 -0.171611D+02 -0.100103D+02
      3   0.900575D+01 -0.530326D+01  0.168039D+01 -0.152374D+01  0.802813D+01
                56            57            58            59            60 
      1  -0.340919D+01 -0.237550D+00 -0.306975D+01  0.268094D+01 -0.645560D+01
      2   0.505651D+01  0.469978D+01  0.656676D+01 -0.219309D+01  0.682333D+01
      3   0.433923D+01 -0.543148D+01  0.772473D+01 -0.885340D+01  0.690549D+01
                61            62            63            64            65 
      1  -0.923408D+00 -0.120479D+01  0.405188D-01 -0.171960D+01 -0.242088D+01
      2   0.166609D+01  0.215054D+01  0.245788D+01  0.591270D+00  0.387534D+01
      3  -0.698118D+01  0.685734D+01 -0.442490D+01 -0.752409D+01 -0.840867D+01
                66            67            68            69            70 
      1  -0.145918D+01 -0.361386D+01 -0.219954D+01 -0.234083D+01 -0.365321D+00
      2   0.867714D+01  0.495153D+01  0.117884D+02 -0.509092D+01  0.278215D+01
      3  -0.921175D-01 -0.520160D+01  0.840104D+01 -0.871959D+01 -0.132754D+01
                71            72            73            74            75 
      1   0.123591D+00  0.151996D+01 -0.154208D+01  0.114373D+02  0.324580D+00
      2  -0.784552D+00 -0.180650D+01 -0.239335D+02  0.103729D+01  0.370722D+00
      3  -0.967386D+01  0.434195D+01  0.485419D+01  0.110444D+02 -0.161767D+01
                76            77            78            79            80 
      1   0.232785D+02 -0.467555D+01 -0.116477D+02 -0.567821D+01  0.149078D+01
      2   0.310415D+01 -0.516573D+01 -0.274430D+01 -0.320828D+02  0.196824D+01
      3   0.356540D+02 -0.544110D+01 -0.124323D+02 -0.326200D+01 -0.461830D+01
                81            82            83            84            85 
      1   0.745102D+01  0.148714D+01  0.276167D+01 -0.669668D+01 -0.511446D+01
      2   0.273772D+02  0.137433D+02 -0.170327D+02  0.763928D+01 -0.765834D+01
      3   0.161814D+01  0.173120D+02 -0.287222D+02  0.116721D+02 -0.368158D+01
                86            87            88            89            90 
      1   0.272885D+02 -0.464912D+01 -0.130549D+02  0.276795D+02 -0.273376D+02
      2  -0.453479D+01  0.444653D+01 -0.583138D+01  0.954942D+01 -0.725244D+01
      3  -0.182430D+02  0.490694D+01  0.563958D+01 -0.469976D+00  0.146282D+01
                91            92            93            94            95 
      1  -0.886858D+01 -0.237982D+01 -0.135956D+01 -0.297461D+01 -0.738454D-01
      2  -0.105791D+02  0.100581D+01  0.241693D+01 -0.954409D+00  0.851813D+00
      3  -0.142648D+01  0.870083D+01  0.727901D+01  0.116435D+02  0.251394D+01
                96            97            98            99           100 
      1  -0.861366D+01  0.750268D+00 -0.229729D+01  0.815640D+00 -0.529081D+00
      2  -0.511348D+01  0.574336D+00 -0.198465D+01  0.211766D+01 -0.640793D+00
      3   0.416285D+01  0.894826D+01  0.330949D+01  0.439395D+01  0.333559D+00
               101           102           103           104           105 
      1  -0.807087D+00  0.421579D+01 -0.242177D+01  0.929003D+01 -0.210635D+01
      2   0.163588D+01  0.898701D+01  0.890105D+00  0.108382D+02  0.219067D+01
      3  -0.117988D+02 -0.316585D+01 -0.855414D+01 -0.104778D+01 -0.808165D+01
               106           107           108           109           110 
      1   0.153975D+01 -0.278333D+00 -0.193762D+01  0.444767D+01  0.923632D+01
      2   0.243502D+01 -0.460043D+00 -0.975838D+00 -0.262860D+02  0.283354D+01
      3  -0.215613D+01 -0.940240D+01 -0.423842D+01  0.131246D+02  0.767514D+01
               111           112           113           114           115 
      1  -0.378699D+01  0.194944D+02 -0.992923D+01 -0.902277D+01 -0.624068D+01
      2   0.315004D+01 -0.362933D+01 -0.285370D+01  0.624466D+01 -0.302716D+02
      3  -0.321828D+01  0.325636D+02 -0.125450D+02 -0.121731D+02  0.129419D+01
               116           117           118           119           120 
      1   0.329521D+01  0.355660D+01  0.177144D+01 -0.155469D+01 -0.200762D+01
      2   0.996984D+01  0.280966D+02  0.190305D+01  0.850818D+00  0.571304D+01
      3  -0.557426D+01 -0.164781D+01  0.809420D+01 -0.530928D+01 -0.316143D+01
               121           122           123           124           125 
      1  -0.331920D+00  0.110478D+01 -0.314729D+00 -0.141140D+01  0.138633D+01
      2  -0.288615D+01 -0.173891D+01  0.383124D+00  0.262796D+01 -0.213566D+00
      3  -0.238460D+01  0.179332D+01  0.238324D+01 -0.108308D+01  0.290909D+01
               126           127           128           129           130 
      1   0.752215D+00  0.522943D+00  0.101346D+01  0.736220D+00 -0.289248D+00
      2  -0.258064D+01 -0.476427D+01  0.160382D+01 -0.218975D+01  0.842168D+00
      3   0.114730D+01 -0.387770D+01  0.359350D+01 -0.200387D+01  0.232418D+01
               131           132           133           134           135 
      1  -0.308487D+01 -0.186424D+01 -0.112336D+00  0.974309D+00  0.875824D+00
      2  -0.662923D+01  0.738397D+01 -0.182035D+01  0.555660D+01 -0.635249D+01
      3  -0.151250D+02  0.703183D+01 -0.404271D+00  0.569495D+01 -0.580637D+01
               136           137           138           139           140 
      1   0.198407D+00  0.100464D+01 -0.149745D+01  0.236220D+01  0.216760D+01
      2   0.671663D+00  0.583053D+00  0.483867D+01 -0.306135D+01  0.962649D+00
      3  -0.197606D+01 -0.540589D+01 -0.103976D+01 -0.269048D+01 -0.796292D+01
               141           142           143           144           145 
      1  -0.114180D+01 -0.948303D+00  0.503486D+00 -0.924812D+00 -0.300603D+01
      2   0.311942D+01  0.159632D+01  0.250911D+01  0.235201D+01  0.308221D+01
      3  -0.387677D+01  0.101143D+01 -0.286910D+01 -0.106902D+01  0.519668D+01
               146           147           148           149           150 
      1   0.999669D+00 -0.126440D+01  0.244982D+01 -0.595657D+01  0.283771D+01
      2   0.433943D+00  0.244971D+01  0.520916D+00  0.430971D+01 -0.686561D+01
      3  -0.425674D+01  0.273720D+01 -0.541087D+01  0.137030D+02 -0.676997D+01
               151           152           153           154           155 
      1  -0.157136D+01  0.406714D+01 -0.316601D+01  0.133860D+01 -0.728904D+00
      2   0.123693D+01 -0.388225D+01  0.564351D+01  0.131485D+01 -0.102008D+01
      3   0.310034D+01 -0.485323D+01  0.581629D+01  0.478161D-01 -0.242973D+01
               156           157           158           159           160 
      1   0.215154D+01  0.211208D+01 -0.284355D+01 -0.333967D+01  0.114857D+01
      2   0.279761D+01  0.213569D+01  0.116533D+01 -0.373728D+01  0.573317D-01
      3  -0.300294D+00  0.669115D+00  0.985645D+01 -0.387774D+01 -0.199281D+01
               161           162           163           164           165 
      1  -0.108330D+01  0.180398D+01  0.537132D+01  0.139029D+01  0.382933D+01
      2  -0.271257D+01  0.186150D+01  0.912520D+00 -0.541022D+00  0.348792D+01
      3  -0.205551D+01  0.108920D+01 -0.976702D+01 -0.564784D+01 -0.497164D+01
               166           167           168           169           170 
      1   0.277310D+01  0.572394D+01  0.403753D+01  0.369166D+01  0.409452D+01
      2  -0.115771D+01  0.249029D+01  0.414340D+01  0.119543D+01  0.174297D+01
      3  -0.693194D+01 -0.909374D+01 -0.521321D+01 -0.460743D+01 -0.323766D+01
               171           172           173           174           175 
      1   0.511512D+01 -0.135049D+01 -0.187981D+01  0.352523D+01  0.730208D+00
      2   0.411232D+01  0.290859D+01 -0.183036D+01  0.404826D+01  0.137761D+01
      3  -0.576868D+01 -0.995181D+01 -0.193835D+01  0.377967D+01  0.798819D+00
               176           177           178           179           180 
      1  -0.136894D+01 -0.191582D+01  0.255070D+01  0.458243D+00 -0.167968D+01
      2  -0.170305D+01 -0.191455D+01  0.166440D+01 -0.948720D+00 -0.212448D+01
      3  -0.179466D+00  0.102431D+01  0.179860D+01  0.231472D+01 -0.114529D+01
               181           182           183           184           185 
      1  -0.210782D+01  0.133800D+01 -0.313257D+01  0.463915D+00 -0.342131D-01
      2  -0.574630D+01 -0.250285D+01 -0.393322D+01 -0.129071D+01 -0.599929D+01
      3   0.780704D+01  0.650748D+01  0.453194D+01  0.530973D+01  0.113812D+02
               186           187           188           189           190 
      1  -0.348296D+01 -0.102819D+01 -0.880022D+00 -0.336316D+01 -0.983002D+00
      2  -0.487232D+01 -0.369527D+01 -0.437032D+01 -0.557520D+01 -0.185369D+01
      3   0.566110D+01  0.258335D+01  0.499879D+01  0.574380D+01  0.673865D+01
               191           192           193           194           195 
      1   0.347834D+01 -0.254215D+01 -0.529565D+00 -0.503536D+00 -0.540055D+01
      2  -0.215881D+01  0.606202D+00 -0.125222D+01 -0.638606D+00  0.945332D+00
      3   0.315625D+01  0.366868D+01  0.602655D+01  0.317799D+01  0.149579D+01
               196           197           198           199           200 
      1  -0.208077D+01 -0.177962D+01 -0.242790D+01 -0.485069D+01 -0.371711D+00
      2  -0.931622D+00  0.589630D+00  0.630934D+00  0.569599D+01 -0.211339D+01
      3   0.290706D+01 -0.849405D+00  0.993434D+00 -0.146736D+02  0.415238D+01
               201           202           203           204           205 
      1   0.742101D+01 -0.411882D+00 -0.362168D+01 -0.154589D+01  0.454547D+01
      2  -0.200605D+01 -0.652062D+00  0.206420D+01  0.676552D+00 -0.367735D+01
      3   0.698976D+01  0.299901D+01 -0.406014D+01 -0.181697D+01  0.520579D+01
               206           207           208           209           210 
      1  -0.743756D+00 -0.600566D+01  0.153384D+01  0.323928D+01  0.307149D+00
      2   0.953882D+00  0.241511D+01 -0.117751D+01  0.834039D+00  0.111777D+00
      3  -0.245562D+01 -0.586142D+01 -0.296904D+01  0.311630D+01 -0.271901D+01
               211           212           213           214           215 
      1  -0.682419D+00 -0.141461D+01 -0.594656D+01  0.688092D+00 -0.269430D+01
      2   0.154495D+01 -0.168537D+01  0.127908D+01 -0.144296D+01  0.860332D+00
      3   0.599424D+01 -0.693765D+01  0.287110D+01 -0.292640D+01  0.642441D+00
               216           217           218           219           220 
      1   0.258472D+01  0.633051D+01 -0.585176D+00 -0.768102D+01 -0.121170D+01
      2  -0.381134D+00  0.395906D+01  0.672483D+00  0.959068D+00 -0.681490D+00
      3  -0.106447D+01  0.155086D+02 -0.752137D+00 -0.707918D+01 -0.194956D+01
               221           222           223           224           225 
      1   0.442973D+01  0.129450D+01 -0.558091D+01  0.107731D+01  0.644046D+01
      2  -0.136121D-01 -0.338410D+00 -0.169145D+01  0.154765D+00 -0.663257D-01
      3   0.309804D+01  0.108530D+01 -0.567358D+01 -0.258029D+00  0.579315D+01
               226           227           228           229           230 
      1  -0.586887D+00  0.393952D+01  0.608355D+00  0.594278D+00  0.115429D+01
      2  -0.879730D+01  0.412448D+01 -0.696161D+00  0.101308D+01  0.618564D+00
      3  -0.117077D+02  0.211299D+01 -0.239062D+01  0.206175D+01  0.186700D+00
               231           232           233           234           235 
      1  -0.205496D+01  0.220360D+01 -0.218026D+01  0.577123D+00  0.180764D+01
      2  -0.900697D+00  0.170585D+01 -0.273146D+01 -0.814103D-01  0.288860D+00
      3  -0.698627D+00  0.213367D+01 -0.131611D+01 -0.228493D+00 -0.198739D+00
               236           237           238           239           240 
      1   0.398955D+00 -0.823740D+00  0.163568D+01 -0.121186D+01  0.386406D+01
      2   0.365013D+00 -0.122572D+01  0.559387D-01 -0.274855D+01  0.210434D+01
      3  -0.736713D+00 -0.169952D+01  0.433606D+00 -0.180686D+01  0.133552D+00
               241           242           243           244           245 
      1   0.260012D+01  0.337413D+00  0.148860D+02 -0.171015D+01  0.241713D+01
      2  -0.141868D+01 -0.149618D+01  0.398050D+01 -0.924007D+01 -0.102856D+01
      3  -0.177660D+01 -0.163739D+01 -0.157339D+01  0.113951D+02 -0.269890D+01
               246           247           248           249           250 
      1  -0.134734D+01  0.534012D+00 -0.193662D+01 -0.114583D+01 -0.158323D+01
      2   0.275841D+00  0.316357D+01  0.201604D+01  0.165890D+01  0.356630D+01
      3   0.189800D+01 -0.281708D+01  0.473051D-01 -0.157708D+01 -0.259640D+01
               251           252           253           254           255 
      1  -0.407257D+00 -0.558793D+00 -0.714598D+00  0.499333D+00  0.133098D+01
      2   0.214894D+01  0.200648D+00 -0.587106D-01 -0.171146D+01 -0.262670D+01
      3  -0.357550D+00  0.187639D+00  0.335390D+00 -0.998849D-01  0.160616D+01
               256           257           258           259           260 
      1   0.179485D+01 -0.767746D+00  0.244460D+01 -0.238234D+01  0.198651D+01
      2  -0.189996D+01 -0.200231D+01 -0.263142D+01  0.183696D+00  0.122929D+01
      3   0.106069D+01  0.166912D+01 -0.518703D+00  0.102249D+01 -0.217806D+01
               261           262           263           264           265 
      1  -0.122625D+02 -0.275545D+01 -0.318640D+01  0.668080D+00 -0.425360D+01
      2   0.937020D+01  0.297573D+01  0.210408D+01  0.204642D+01  0.654037D+01
      3   0.161494D+01 -0.454275D+01 -0.612795D+01  0.566640D+00 -0.625872D+01
               266           267           268           269           270 
      1  -0.436377D+01  0.637255D+00 -0.128423D+01  0.292281D+00 -0.330534D+00
      2   0.548188D+00 -0.981540D+00  0.417240D+01  0.752600D+00 -0.464703D+00
      3  -0.675468D+01  0.242327D+01 -0.220180D+01 -0.118418D+01 -0.221838D+00
               271           272           273           274           275 
      1  -0.125528D+01  0.112509D+01  0.234786D+00  0.208937D+00 -0.120640D+01
      2   0.223463D+01 -0.827950D+00 -0.446186D+01 -0.171593D+01 -0.155684D+01
      3  -0.128827D+01  0.201712D+00  0.983726D+00  0.134848D+01 -0.718849D+00
               276           277           278           279           280 
      1   0.651483D+00 -0.403563D-02  0.293255D+01 -0.400880D+01  0.863898D-01
      2   0.104738D+01  0.116775D+01  0.112769D+01 -0.148508D+02  0.366870D+01
      3   0.142664D+01 -0.526527D+00  0.235034D+01 -0.158824D+01  0.548299D+01
               281           282           283           284           285 
      1  -0.660500D+01  0.124782D+01 -0.202462D+01 -0.459347D+01 -0.178843D+01
      2   0.346557D+01 -0.368817D+00  0.309506D+01  0.313718D+01 -0.953935D+00
      3   0.633085D+01 -0.231513D+01  0.632076D+01  0.611354D+01 -0.835120D+00
               286           287           288           289           290 
      1  -0.164157D+00 -0.441209D+01  0.457924D+00  0.945459D+00  0.218419D+01
      2  -0.468605D+00  0.694327D+00  0.371171D+00  0.147278D+01  0.103082D+00
      3   0.871800D+00  0.237158D+01  0.222113D+00  0.906445D+00 -0.139724D+01
               291           292           293           294           295 
      1  -0.154433D+01  0.142966D+01 -0.200599D+01  0.429036D+01 -0.592683D+00
      2  -0.826176D+00 -0.912117D+00  0.807823D+00  0.257013D+00 -0.303616D+01
      3  -0.127446D+01 -0.244548D+00  0.107986D+01 -0.114701D+01 -0.242287D+01
               296           297           298           299           300 
      1  -0.122296D+01  0.142019D+02 -0.180769D+01 -0.451997D+01 -0.173358D+01
      2  -0.535655D+00  0.591732D+01  0.211118D+01 -0.104200D+01  0.809167D+00
      3   0.212788D+00  0.158863D+01 -0.985544D+00  0.421842D+01  0.176914D+01
               301           302           303           304           305 
      1  -0.320796D-01  0.857244D+01 -0.627774D+00 -0.171156D+01 -0.395405D+01
      2  -0.241149D+01  0.246548D+01  0.138995D+01  0.170977D-01  0.111836D+01
      3   0.411579D+01 -0.105230D+02 -0.169969D+01  0.758717D-02  0.258197D+01
               306           307           308           309           310 
      1  -0.266981D+00  0.133775D+01  0.230788D+01  0.253813D+01  0.198979D+01
      2   0.524300D+00  0.124614D+01 -0.145232D+01 -0.197490D+01 -0.197435D+00
      3  -0.165572D+00 -0.150155D+01 -0.120684D+01  0.719999D+00 -0.719022D-01
               311           312           313           314           315 
      1   0.508385D+00  0.316419D+01 -0.895089D+00 -0.596394D+00 -0.108763D+02
      2   0.485281D+00 -0.126087D+01 -0.245713D+01  0.203039D+01  0.109436D+02
      3  -0.483824D+00 -0.155875D+01  0.233026D+01 -0.734055D+00 -0.159977D+01
               316           317           318           319           320 
      1   0.229124D+00 -0.212578D+01  0.514974D+00 -0.468027D+01  0.776797D+01
      2  -0.384935D+00 -0.962681D+00  0.219122D+01 -0.467731D+01  0.105863D+01
      3   0.456899D+00 -0.361675D+01  0.372695D+00 -0.354779D+01  0.108360D+02
               321           322           323           324           325 
      1   0.802856D+00  0.259056D+01 -0.108801D+01  0.134628D+00  0.255456D+01
      2  -0.216860D+00  0.279717D+01 -0.204446D+01 -0.584337D+00  0.179210D+01
      3   0.240479D+01  0.157314D+01 -0.192906D+01  0.216359D+00  0.173232D+01
               326           327           328           329           330 
      1   0.499853D+00 -0.173223D+01  0.118093D-01 -0.336553D-01  0.912952D+00
      2  -0.113657D+01 -0.420720D+01  0.298346D-01 -0.203124D+01  0.438837D+00
      3  -0.235168D+00 -0.372548D+00  0.921889D+00  0.254240D+00  0.167758D+01
               331           332           333 
      1   0.128098D+01  0.193407D+01 -0.200987D+01
      2   0.153781D+00 -0.238774D+01 -0.152502D+02
      3   0.138326D+01  0.197850D+01  0.158622D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.683737D+01 -0.135690D+02  0.797842D+01 -0.922688D+01  0.253177D+02
      2   0.108554D+02  0.234604D+02 -0.889181D+01  0.172656D+02 -0.372437D+02
      3  -0.401804D+01 -0.989143D+01  0.913398D+00 -0.803872D+01  0.119259D+02
      4  -0.106159D+02  0.541908D+01  0.125723D+02  0.575209D+01  0.131069D+02
      5   0.846092D+01  0.659830D+00 -0.788976D+01 -0.257858D+01 -0.275469D+01
      6   0.140763D+02 -0.932438D+01 -0.533386D+01 -0.421073D+01  0.234973D+02
                 6             7             8             9            10 
      1  -0.120621D+02  0.606363D+01 -0.974676D+01 -0.111243D+01  0.114150D+02
      2   0.222989D+02 -0.657944D+01  0.179877D+02 -0.241585D+01 -0.160908D+02
      3  -0.102367D+02  0.515803D+00 -0.824099D+01  0.352828D+01  0.467573D+01
      4  -0.594754D+00  0.106166D+02 -0.216610D+01 -0.446352D+01  0.195287D+01
      5  -0.576118D+00 -0.653093D+01  0.311612D+00  0.675081D+00 -0.795608D+00
      6  -0.685962D+01 -0.410257D+01 -0.735605D+01 -0.459157D+01 -0.216339D+02
                11            12            13            14            15 
      1   0.983098D+01 -0.847911D+00  0.754587D+01 -0.158397D+01  0.747247D+01
      2  -0.226569D+02 -0.372882D+01 -0.186420D+02 -0.118456D+01 -0.166157D+02
      3   0.128259D+02  0.457673D+01  0.110962D+02  0.276853D+01  0.914325D+01
      4  -0.231747D+02 -0.185154D+02 -0.193329D+02 -0.194659D+02 -0.578474D+01
      5  -0.862679D+01 -0.570294D+01 -0.372777D+01 -0.842505D+01  0.174297D+00
      6  -0.740170D+01  0.508143D+01 -0.435182D+01 -0.152066D+02 -0.908309D+01
                16            17            18            19            20 
      1  -0.151541D+01  0.526134D+01  0.166912D+01 -0.157698D+02 -0.458222D+01
      2  -0.208920D+01 -0.128987D+02 -0.501701D+01  0.105502D+02  0.703232D+01
      3   0.360461D+01  0.763733D+01  0.334790D+01  0.521961D+01 -0.245010D+01
      4  -0.154194D+02 -0.578810D+01  0.294587D+01 -0.695078D+01  0.606953D+01
      5  -0.529965D+01 -0.978674D+00  0.248364D+01 -0.395734D+01  0.294298D+01
      6   0.347696D+01 -0.816844D+01  0.433800D+01  0.496801D+01  0.294876D+01
                21            22            23            24            25 
      1  -0.236424D+01 -0.842145D+01 -0.102598D+02 -0.101645D+02 -0.102881D+01
      2   0.142537D+00  0.133116D+02  0.912411D+01  0.114417D+02  0.177072D+01
      3   0.222171D+01 -0.489014D+01  0.113574D+01 -0.127726D+01 -0.741914D+00
      4   0.247954D+01  0.889624D+01  0.945239D+01  0.534623D+01  0.772642D+00
      5   0.506028D+01  0.191786D+01  0.904630D+01  0.203644D+01  0.406620D+01
      6   0.218509D+01  0.440354D+01  0.813644D+01  0.832550D+01 -0.361998D-01
                26            27            28            29            30 
      1  -0.579134D+01  0.309563D+01 -0.113908D+02 -0.882267D-01 -0.551498D+01
      2   0.526593D+01  0.107857D+02  0.444046D+01  0.694903D-01  0.551092D+01
      3   0.525414D+00 -0.138813D+02  0.695030D+01  0.187364D-01  0.405375D-02
      4   0.417015D+01  0.103671D+00 -0.962164D-01 -0.772542D+01  0.365907D+01
      5   0.730778D+00 -0.363204D+01 -0.342784D+01  0.228599D+01 -0.490766D+01
      6   0.618994D+01 -0.606655D+01  0.230025D+01  0.348960D+01 -0.258439D-01
                31            32            33            34            35 
      1  -0.575490D-01  0.428695D+01  0.366521D+01 -0.746977D+01  0.502234D+01
      2   0.338438D-01 -0.112014D+02 -0.364982D+01  0.748259D+01 -0.501381D+01
      3   0.237052D-01  0.691447D+01 -0.153970D-01 -0.128204D-01 -0.852785D-02
      4  -0.783667D+01 -0.478287D-01  0.553334D+01  0.503055D+01  0.751161D+01
      5   0.228123D+01  0.348321D+01 -0.153157D-01  0.210207D+01 -0.283434D-01
      6   0.346507D+01 -0.234271D+01 -0.485068D+01 -0.390825D-02  0.217246D+01
                36            37            38            39            40 
      1   0.125144D+01 -0.130387D+01  0.181761D+01  0.680744D+00  0.640164D+01
      2   0.131519D+01 -0.583180D+01 -0.179286D+01 -0.329043D+01 -0.865922D+01
      3  -0.256663D+01  0.713568D+01 -0.247432D-01  0.260968D+01  0.225758D+01
      4  -0.153083D-01  0.116022D+02 -0.452432D+01 -0.231850D+01 -0.630663D+01
      5   0.234165D-01 -0.454801D+01  0.245009D+01  0.400414D+01  0.399725D+01
      6  -0.935784D-02 -0.116856D+01 -0.331124D+00 -0.431229D+00  0.735076D+00
                41            42            43            44            45 
      1  -0.196086D+02  0.113970D+02  0.157786D+01  0.699175D+01  0.418813D+01
      2   0.203508D+02 -0.117706D+02 -0.761936D+00 -0.681947D+01  0.956317D+01
      3  -0.742204D+00  0.373617D+00 -0.815927D+00 -0.172278D+00 -0.137513D+02
      4   0.275329D+01 -0.327886D+01  0.128895D+00 -0.117168D+01  0.267175D+01
      5   0.419411D+01 -0.272822D+00  0.403877D+01  0.186899D+00 -0.106223D+01
      6  -0.129368D+02  0.929151D+01  0.878781D+00  0.594490D+01  0.699450D+01
                46            47            48            49            50 
      1   0.446489D+01  0.974395D+01  0.973202D+01  0.433036D+01  0.138323D+02
      2  -0.657658D+01 -0.443646D+01 -0.817470D+01 -0.150464D+01 -0.180435D+02
      3   0.211170D+01 -0.530748D+01 -0.155733D+01 -0.282572D+01  0.421121D+01
      4   0.894021D+01  0.131038D+02  0.757932D+01  0.898358D+01 -0.721117D+00
      5   0.599814D+01  0.425980D+01  0.776468D+01  0.262696D+01  0.629087D+01
      6   0.913591D+01  0.410886D+01  0.240729D+01  0.487428D+01 -0.237196D+01
                51            52            53            54            55 
      1   0.743911D+00  0.386474D+01  0.210384D+01  0.105775D+02  0.653265D+01
      2  -0.279628D+01 -0.445108D+01 -0.150715D+01  0.321444D+01 -0.670243D+01
      3   0.205237D+01  0.586346D+00 -0.596690D+00 -0.137919D+02  0.169778D+00
      4   0.371612D+01  0.529226D+01  0.176454D+01  0.103682D+01 -0.125352D+02
      5   0.247408D+01  0.606031D+01  0.202589D+00 -0.546524D+01 -0.128854D+02
      6   0.563012D+01  0.932050D+00  0.415238D+01 -0.436055D+01 -0.840304D+01
                56            57            58            59            60 
      1  -0.103084D+02 -0.146218D+02 -0.128350D+02 -0.196382D+02 -0.824851D+00
      2  -0.252787D+00  0.619049D+01  0.743361D+00  0.118522D+02 -0.499157D+01
      3   0.105612D+02  0.843135D+01  0.120917D+02  0.778600D+01  0.581642D+01
      4  -0.236602D+02 -0.623065D+01 -0.280702D+02 -0.820654D+01 -0.195304D+02
      5  -0.273354D+01 -0.963314D+01 -0.508033D+01 -0.228081D+02  0.468825D+01
      6  -0.495500D+01 -0.357420D+00 -0.102561D+02 -0.557150D+01 -0.515131D+01
                61            62            63            64            65 
      1  -0.107653D+02  0.482922D+00 -0.568133D+01 -0.435798D+02  0.795479D+01
      2   0.387859D+01 -0.500088D+01  0.227660D+01  0.295405D+02 -0.220037D+01
      3   0.688676D+01  0.451796D+01  0.340473D+01  0.140393D+02 -0.575442D+01
      4  -0.583535D+01 -0.158789D+02  0.183771D+01  0.194883D+01  0.103915D+02
      5  -0.842141D+01  0.292992D+01  0.389041D+01  0.250996D+02 -0.225936D+01
      6  -0.146479D+01 -0.506521D+01  0.294175D+01  0.862225D+00 -0.442228D+01
                66            67            68            69            70 
      1   0.231436D+02  0.145018D+02  0.174902D+02 -0.936614D+01  0.190863D+02
      2  -0.129171D+02 -0.677608D+01 -0.113390D+02  0.967528D+01 -0.108858D+02
      3  -0.102265D+02 -0.772575D+01 -0.615126D+01 -0.309140D+00 -0.820050D+01
      4   0.248093D+01  0.114352D+02 -0.548717D+01  0.105465D+02  0.258841D+00
      5  -0.604951D+01 -0.811327D+01  0.115309D+02 -0.503481D+01 -0.685492D+01
      6  -0.352137D+00 -0.187592D+01  0.983250D+01 -0.881679D+01  0.295821D+00
                71            72            73            74            75 
      1  -0.680770D+01 -0.126884D+01  0.195509D+02 -0.298641D+01 -0.101414D+02
      2   0.736073D+01 -0.225942D+01 -0.186019D+02  0.181963D+01  0.100695D+02
      3  -0.553031D+00  0.352826D+01 -0.948946D+00  0.116679D+01  0.719512D-01
      4   0.879232D+01 -0.443298D+01  0.977565D+01 -0.811566D+01 -0.581530D+01
      5  -0.406316D+01 -0.461572D+01 -0.131009D+02 -0.149378D+01  0.930426D+01
      6  -0.706467D+01  0.471480D-01  0.145679D+01  0.486568D+01  0.467027D+00
                76            77            78            79            80 
      1   0.309740D+01 -0.918569D+01 -0.395366D+01 -0.625234D+01 -0.162801D+01
      2  -0.200848D+01  0.195836D+01  0.132453D+01  0.628438D+01  0.245629D+01
      3  -0.108892D+01  0.722733D+01  0.262913D+01 -0.320451D-01 -0.828281D+00
      4  -0.493896D+01  0.889702D+01 -0.350815D+01 -0.291472D+01 -0.454553D+00
      5  -0.224769D+01 -0.855366D+00  0.295291D+00  0.587239D+01  0.117954D+01
      6   0.316985D+01 -0.366979D+01  0.402950D+01  0.458303D+00  0.419846D+01
                81            82            83            84            85 
      1   0.883226D+01 -0.926778D-02  0.553319D+01  0.250326D+01  0.672788D+01
      2   0.491504D+01 -0.522287D+01 -0.103243D+02 -0.321435D+00 -0.918916D+01
      3  -0.137473D+02  0.523214D+01  0.479115D+01 -0.218183D+01  0.246128D+01
      4   0.332510D+01 -0.224697D+01  0.107189D+02 -0.921461D+01  0.494421D+01
      5   0.702674D+01  0.172404D+01 -0.271693D+00  0.568716D+01  0.141969D+01
      6  -0.168658D+00 -0.527507D+01  0.747258D+01 -0.245993D+01  0.755089D+01
                86            87            88            89            90 
      1   0.616260D+01  0.150360D+01 -0.129799D+01  0.146364D+00  0.873159D+01
      2  -0.721536D+01 -0.350310D+00  0.498071D+00 -0.579070D+00  0.498108D+01
      3   0.105276D+01 -0.115329D+01  0.799923D+00  0.432706D+00 -0.137127D+02
      4  -0.186045D+02  0.801007D+01 -0.513563D+01  0.501188D+01 -0.338339D+01
      5   0.706005D+01 -0.250168D+01  0.531973D+01 -0.760400D+00 -0.332264D+01
      6  -0.564115D+01  0.763169D+01 -0.153382D+01  0.485551D+01  0.613987D+01
                91            92            93            94            95 
      1   0.407263D+01 -0.135923D+02 -0.111701D+02 -0.139768D+02 -0.229599D+00
      2   0.275312D+01  0.179496D+02  0.538209D+01  0.202333D+02 -0.143312D+02
      3  -0.682575D+01 -0.435723D+01  0.578798D+01 -0.625644D+01  0.145608D+02
      4  -0.995055D+01 -0.891217D+01  0.652439D+01 -0.138600D+02  0.306592D+02
      5  -0.977156D+01 -0.282950D+01 -0.105422D+02 -0.246993D+01 -0.179835D+02
      6   0.684164D+01 -0.300568D+01  0.279257D+01 -0.865959D+01  0.195132D+02
                96            97            98            99           100 
      1  -0.829841D+01 -0.831734D+01 -0.797438D+01 -0.576951D+01 -0.274387D+02
      2   0.170086D+02  0.346271D+01  0.149123D+02  0.234696D+01  0.118636D+02
      3  -0.871023D+01  0.485464D+01 -0.693791D+01  0.342255D+01  0.155751D+02
      4  -0.160596D+02  0.549195D+01 -0.124105D+02  0.168380D+01  0.287434D+02
      5  -0.209693D+01 -0.854520D+01 -0.126362D+01  0.211207D+01  0.228667D+02
      6  -0.438513D+01  0.306915D+01 -0.510733D+01 -0.394923D+01 -0.141197D+02
               101           102           103           104           105 
      1   0.189783D+02  0.200531D+02  0.149768D+02  0.102602D+02  0.643441D+01
      2  -0.158550D+02 -0.107352D+02 -0.138009D+02 -0.222979D+01 -0.109452D+02
      3  -0.312329D+01 -0.931784D+01 -0.117588D+01 -0.803038D+01  0.451079D+01
      4  -0.353528D+01 -0.131314D+02  0.890736D+00 -0.112222D+02  0.667519D+01
      5  -0.626375D+01 -0.453464D+01 -0.307665D+00  0.701065D+01  0.343083D+01
      6  -0.445874D+01 -0.137227D+01 -0.413548D+01 -0.967720D+01 -0.103793D+02
               106           107           108           109           110 
      1   0.172478D+02  0.421548D+01  0.164244D+01  0.857252D+00 -0.946320D+01
      2  -0.984162D+01 -0.811588D+01 -0.508179D+01 -0.109175D+01  0.778921D+01
      3  -0.740620D+01  0.390040D+01  0.343935D+01  0.234502D+00  0.167400D+01
      4  -0.969745D+01  0.561586D+01  0.274811D+01 -0.208674D+02  0.224093D+00
      5  -0.549044D+01  0.346892D+01 -0.407277D+01 -0.853630D+01  0.700243D+01
      6  -0.755087D+00 -0.831028D+01  0.159405D+01  0.573583D+01  0.309961D+01
               111           112           113           114           115 
      1  -0.262161D+01 -0.120845D+02 -0.751148D+01  0.182263D+01 -0.185136D+01
      2   0.355883D+01  0.798145D+01  0.141953D+01  0.598430D+00  0.165810D+01
      3  -0.937223D+00  0.410304D+01  0.609196D+01 -0.242106D+01  0.193260D+00
      4   0.871051D+01  0.583691D+01 -0.171127D+01 -0.818280D+01  0.515435D+01
      5   0.830664D+01  0.697324D+01 -0.354739D+01 -0.203609D+01  0.506254D+01
      6  -0.218262D+01  0.132717D+01  0.149990D+01  0.505778D+01 -0.754860D+00
               116           117           118           119           120 
      1   0.150615D+01  0.586478D+01  0.783819D+02 -0.162827D+01 -0.195969D+02
      2  -0.233961D+01  0.776657D+01 -0.450029D+02  0.194605D+01  0.134573D+02
      3   0.833460D+00 -0.136313D+02 -0.333790D+02 -0.317779D+00  0.613952D+01
      4  -0.401136D+01 -0.367403D+01  0.861577D+01  0.802381D+01 -0.183041D+01
      5  -0.148213D+01  0.652313D+01 -0.311279D+02  0.726420D+00  0.180079D+02
      6   0.500720D+01 -0.256071D+01 -0.305600D+01 -0.166247D+01  0.274867D+01
               121           122           123           124           125 
      1  -0.135626D+02  0.745318D+01  0.503966D+01 -0.164996D+02  0.142979D+01
      2   0.951802D+01 -0.408019D+01 -0.476479D+01  0.134777D+02 -0.195352D+01
      3   0.404459D+01 -0.337299D+01 -0.274865D+00  0.302185D+01  0.523726D+00
      4   0.976858D+01 -0.946945D+00 -0.464789D+01 -0.195216D+01 -0.349086D+01
      5   0.634921D+01 -0.600129D+01 -0.298888D+01  0.218490D+02 -0.282555D-01
      6  -0.256889D+01 -0.895439D+00  0.287125D+01  0.289531D+01  0.276576D+01
               126           127           128           129           130 
      1   0.130763D+02  0.243532D-01  0.579302D+01 -0.727609D+01  0.427167D+01
      2  -0.108077D+02  0.959808D+00 -0.402501D+01  0.361305D+01 -0.125181D+01
      3  -0.226862D+01 -0.984162D+00 -0.176801D+01  0.366304D+01 -0.301986D+01
      4   0.190461D+01  0.201243D+01  0.255203D+00 -0.133211D+01  0.698177D+01
      5  -0.132639D+02 -0.453912D+01 -0.968944D+00  0.718522D+00 -0.299654D+01
      6  -0.151051D+01 -0.366959D+01  0.268628D+01 -0.184687D+01 -0.191700D+01
               131           132           133           134           135 
      1  -0.134798D+02  0.777343D+01 -0.591839D+01  0.546792D+01 -0.695660D+01
      2   0.184621D+02 -0.638128D+01  0.322430D+01 -0.320476D+01  0.219138D+01
      3  -0.498230D+01 -0.139215D+01  0.269409D+01 -0.226317D+01  0.476523D+01
      4   0.227161D+02 -0.102192D+02 -0.420837D+01 -0.856297D+01  0.820018D+01
      5  -0.102108D+02  0.115672D+02  0.469147D+01  0.876562D+01 -0.105540D+02
      6  -0.169269D+02  0.125507D+02  0.140330D+01  0.112961D+02 -0.111777D+02
               136           137           138           139           140 
      1   0.329273D+02  0.159691D+02  0.932364D+01  0.182425D+02  0.106851D+02
      2  -0.121557D+02 -0.305328D+01 -0.449228D+01 -0.135045D+01  0.551652D+01
      3  -0.207716D+02 -0.129158D+02 -0.483137D+01 -0.168921D+02 -0.162016D+02
      4   0.303251D+02  0.223928D+02  0.890651D+01  0.317299D+02  0.332622D+02
      5   0.175758D+02  0.892749D+01  0.123819D+02  0.123567D+02  0.145459D+02
      6   0.797253D+01  0.554660D+01  0.454536D+01  0.950746D+01  0.116539D+02
               141           142           143           144           145 
      1   0.297801D+01  0.782620D+01  0.190741D+01  0.603763D+01  0.145518D+02
      2   0.910783D+00 -0.505365D+01 -0.520241D+00 -0.378799D+01 -0.977198D+01
      3  -0.388879D+01 -0.277254D+01 -0.138717D+01 -0.224964D+01 -0.477978D+01
      4   0.140421D+02  0.950107D+01  0.103367D+02  0.109031D+02 -0.587536D+01
      5   0.101058D+02  0.160693D+02  0.101774D+02  0.111706D+02  0.118257D+02
      6   0.855495D+01  0.729781D+01  0.833639D+01  0.674993D+01 -0.128283D+01
               146           147           148           149           150 
      1  -0.691524D+01  0.810534D+01 -0.135058D+02  0.827792D+01 -0.323828D+01
      2   0.499612D+01 -0.599628D+01  0.103544D+02 -0.698745D+01  0.652158D+01
      3   0.191912D+01 -0.210906D+01  0.315144D+01 -0.129047D+01 -0.328330D+01
      4   0.738845D+01 -0.185972D+01  0.111455D+02 -0.163362D+02  0.105059D+02
      5  -0.422466D+01  0.969603D+01 -0.885429D+01  0.124862D+02 -0.138301D+02
      6   0.193791D+01 -0.291638D+00  0.427707D+01 -0.600187D+01  0.346323D+01
               151           152           153           154           155 
      1   0.882267D+01 -0.676227D+00  0.431405D+01  0.554956D+01 -0.494141D+01
      2  -0.807266D+01  0.414570D+01 -0.908075D+01  0.381607D+01 -0.510571D+01
      3  -0.750007D+00 -0.346947D+01  0.476670D+01 -0.936563D+01  0.100471D+02
      4  -0.116990D+01  0.722616D+01 -0.650642D+01 -0.169671D+02  0.190919D+02
      5   0.119967D+02 -0.814849D+01  0.152225D+02  0.760643D+01 -0.572513D+01
      6  -0.785611D+00  0.399182D+01 -0.241157D+01 -0.655273D+01  0.478502D+01
               156           157           158           159           160 
      1   0.349559D+01 -0.941917D+00 -0.141900D+02  0.621288D+01  0.145705D+01
      2  -0.434755D+00 -0.132016D+02  0.415454D+02 -0.116209D+02  0.715937D+00
      3  -0.306083D+01  0.141435D+02 -0.273554D+02  0.540801D+01 -0.217299D+01
      4  -0.640686D+01  0.260261D+02 -0.453562D+02  0.140993D+02 -0.759878D+01
      5   0.678774D+01 -0.728300D+01  0.144492D+02 -0.933535D+01  0.886141D+01
      6  -0.397734D+01  0.952201D+01 -0.236714D+02  0.142601D+02 -0.763755D+01
               161           162           163           164           165 
      1   0.540350D+01 -0.314074D+01  0.256419D+02  0.689794D+01  0.103650D+02
      2  -0.781069D+01  0.542970D+01 -0.195157D+02 -0.685235D+01 -0.952661D+01
      3   0.240719D+01 -0.228896D+01 -0.612619D+01 -0.455919D-01 -0.838368D+00
      4   0.121005D+02 -0.113524D+02 -0.293683D+01  0.452441D+01 -0.210487D+01
      5  -0.105671D+02  0.789730D+01  0.170460D+02  0.312807D+01  0.136653D+02
      6   0.157749D+02 -0.106852D+02 -0.257933D+01  0.154212D+01 -0.395581D+01
               166           167           168           169           170 
      1   0.142368D+02  0.735580D+01  0.549921D+01  0.862495D+01  0.177281D+01
      2  -0.131396D+02 -0.747154D+01 -0.942265D+01 -0.916872D+01 -0.528861D+01
      3  -0.109716D+01  0.115741D+00  0.392344D+01  0.543765D+00  0.351581D+01
      4   0.329502D+01  0.452400D+01  0.522344D+01 -0.361348D+01  0.511254D+01
      5   0.814732D+01  0.847009D+01  0.926367D+01  0.139800D+02  0.397620D+01
      6   0.203165D+01 -0.829419D-01 -0.476754D+00 -0.337911D+01  0.190530D+01
               171           172           173           174           175 
      1   0.690516D+01  0.557213D+02 -0.135846D+02 -0.149764D+02 -0.322874D+01
      2  -0.117524D+02 -0.253889D+02  0.215678D+01  0.920940D+01 -0.387234D+01
      3   0.484725D+01 -0.303324D+02  0.114279D+02  0.576699D+01  0.710108D+01
      4  -0.970938D-01 -0.418112D+02  0.202632D+02  0.120686D+02  0.148676D+02
      5   0.151306D+02 -0.271282D+02  0.782940D+01  0.157903D+02  0.260395D+01
      6  -0.369995D+01  0.125608D+02 -0.520977D+01 -0.809607D+01 -0.417547D+01
               176           177           178           179           180 
      1   0.525991D+01 -0.958405D+00 -0.110396D+02  0.124479D+01  0.832825D+01
      2   0.123403D+01  0.323244D+01  0.834812D+01  0.610998D+00 -0.601431D+01
      3  -0.649394D+01 -0.227404D+01  0.269144D+01 -0.185579D+01 -0.231393D+01
      4  -0.114280D+02 -0.512492D+01  0.108882D+02 -0.612488D+01 -0.989526D+01
      5  -0.587538D+01 -0.259894D+01  0.180921D+02 -0.641814D+01 -0.117456D+02
      6   0.535297D+01  0.512995D+01 -0.942215D+01  0.663614D+01  0.651236D+01
               181           182           183           184           185 
      1  -0.572961D+01 -0.119040D+02 -0.934335D+01 -0.627090D+01 -0.205354D+02
      2   0.547013D+01  0.123064D+02  0.534756D+01  0.551844D+01  0.265856D+02
      3   0.259481D+00 -0.402353D+00  0.399579D+01  0.752455D+00 -0.605026D+01
      4   0.231721D+01  0.801925D+00  0.369517D+01  0.388784D+01 -0.797725D+01
      5  -0.138851D+01  0.129622D+01 -0.875844D+00  0.146644D+01 -0.441678D+01
      6   0.698499D+01  0.717402D+01  0.732892D+01  0.215118D+01  0.177924D+02
               186           187           188           189           190 
      1  -0.100077D+02 -0.533488D+01 -0.873432D+01 -0.113466D+02 -0.967775D+00
      2   0.102729D+02  0.196142D+01  0.774718D+01  0.657501D+01  0.133659D+02
      3  -0.265158D+00  0.337346D+01  0.987135D+00  0.477163D+01 -0.123981D+02
      4  -0.408400D+01  0.469554D+01 -0.522561D+01 -0.258424D+01  0.251364D+02
      5  -0.593250D+01  0.207166D+01 -0.498585D+01 -0.563541D+01  0.797899D+01
      6   0.141736D+02  0.233906D+01  0.139063D+02  0.144883D+02  0.129338D+02
               191           192           193           194           195 
      1  -0.694171D+01 -0.177972D+01 -0.603101D+01 -0.210468D+02 -0.690221D+01
      2   0.228382D+02  0.495048D+01  0.177238D+02  0.452668D+02  0.121860D+02
      3  -0.158965D+02 -0.317075D+01 -0.116928D+02 -0.242200D+02 -0.528378D+01
      4   0.283151D+02  0.122098D+02  0.192433D+02  0.293774D+02  0.843174D+01
      5   0.808001D+01  0.669783D+01  0.460998D+01  0.721984D+01  0.378398D+01
      6   0.127058D+02  0.930642D+01  0.875564D+01  0.213755D+02  0.143171D+02
               196           197           198           199           200 
      1  -0.217816D+01 -0.786017D+01 -0.646780D+01 -0.392994D+01  0.751958D+01
      2   0.318705D+01  0.109397D+02  0.866600D+01  0.591036D+01 -0.110690D+02
      3  -0.100889D+01 -0.307954D+01 -0.219821D+01 -0.198041D+01  0.354938D+01
      4   0.855679D+01  0.872508D+01  0.913412D+01 -0.203649D+02  0.122320D+02
      5   0.617832D+01  0.594748D+01  0.519167D+01 -0.846862D+01  0.461899D+01
      6   0.876479D+01  0.182338D+02  0.119294D+02  0.130337D+02 -0.794592D+01
               201           202           203           204           205 
      1   0.426277D+01  0.330393D+01 -0.642951D+01 -0.482572D+01  0.319911D+01
      2  -0.129553D+01 -0.555872D+01  0.103362D+02  0.741031D+01  0.137833D+00
      3  -0.296724D+01  0.225479D+01 -0.390666D+01 -0.258459D+01 -0.333694D+01
      4   0.116284D+02  0.715966D+01 -0.593278D+01 -0.207976D+01  0.798861D+01
      5   0.534467D+01  0.168777D+01 -0.181601D+01 -0.837101D+00  0.528853D+01
      6  -0.142975D+02 -0.364889D+01  0.100441D+02  0.776218D+01 -0.910209D+01
               206           207           208           209           210 
      1  -0.722325D+01 -0.716763D+01 -0.520056D+01  0.115672D+02 -0.499711D+01
      2   0.849674D+01  0.235974D+01  0.960136D+01 -0.191881D+02  0.601271D+01
      3  -0.127349D+01  0.480788D+01 -0.440080D+01  0.762099D+01 -0.101560D+01
      4  -0.235642D+01 -0.807467D+01 -0.518269D+01  0.127314D+02 -0.595267D+01
      5  -0.171814D+01 -0.439836D+01  0.601938D+00 -0.344773D+01  0.314079D+01
      6   0.107051D+02  0.147754D+02 -0.726210D+01  0.884416D+01 -0.478510D+01
               211           212           213           214           215 
      1   0.504009D+01 -0.437740D+02  0.129025D+02 -0.266858D+01  0.132254D+02
      2  -0.849341D+01  0.762594D+02 -0.189870D+02  0.252390D+01 -0.163081D+02
      3   0.345332D+01 -0.324854D+02  0.608457D+01  0.144677D+00  0.308263D+01
      4   0.850881D+01 -0.476480D+01  0.175928D+01 -0.393577D+01  0.139432D+01
      5  -0.179047D+01  0.311941D+00  0.776424D+00  0.269144D+01  0.420061D+00
      6   0.368963D+01 -0.301600D+02  0.177787D+02 -0.241571D+01  0.218870D+02
               216           217           218           219           220 
      1  -0.108586D+02  0.125939D+02 -0.133833D+01 -0.378791D+01 -0.228299D+01
      2   0.131492D+02 -0.827391D+01  0.475184D+01  0.559423D+01  0.451427D+01
      3  -0.229059D+01 -0.432001D+01 -0.341351D+01 -0.180632D+01 -0.223129D+01
      4  -0.114285D+01  0.247844D+02  0.902138D+01 -0.114521D+02  0.203773D+01
      5   0.206895D+00 -0.151981D+02 -0.315051D+01  0.109456D+02  0.111642D+01
      6  -0.132680D+02 -0.115332D+02 -0.418808D+01  0.128565D+02 -0.150825D+01
               221           222           223           224           225 
      1  -0.487050D+00  0.335606D+01 -0.137035D+01  0.415838D+01 -0.155451D+00
      2   0.219825D+01 -0.689092D+01  0.398295D+01 -0.658485D+01 -0.458309D+01
      3  -0.171120D+01  0.353485D+01 -0.261260D+01  0.242646D+01  0.473854D+01
      4   0.327942D+01 -0.145403D+01 -0.887146D+01 -0.407593D+01  0.909404D+01
      5  -0.311779D+01 -0.472281D+00  0.982357D+01  0.207430D+01 -0.970687D+01
      6  -0.585920D+01  0.223218D+01  0.943021D+01  0.624489D+01 -0.120306D+02
               226           227           228           229           230 
      1   0.117708D+02  0.178228D+01 -0.143252D+01 -0.243225D+01  0.228092D+01
      2  -0.384858D+01 -0.693704D+01  0.350049D+00 -0.123041D+01  0.249305D+01
      3  -0.792221D+01  0.515475D+01  0.108247D+01  0.366266D+01 -0.477398D+01
      4  -0.221806D+02  0.963498D+01 -0.372968D+01  0.865748D+01 -0.683060D+01
      5   0.104404D+02 -0.424142D+01  0.417362D+01 -0.232209D+01  0.924667D+00
      6  -0.362242D+01  0.614481D+01 -0.518963D+01  0.123004D+01  0.412066D+00
               231           232           233           234           235 
      1  -0.147054D+01 -0.694134D+00 -0.386236D+01  0.149907D+01 -0.619246D+00
      2   0.150232D+01 -0.183424D+01  0.632066D+01 -0.332845D+01 -0.211381D+01
      3  -0.317762D-01  0.252837D+01 -0.245831D+01  0.182938D+01  0.273306D+01
      4   0.117378D+01  0.177215D+01 -0.208381D+00 -0.315522D+01 -0.112190D+01
      5  -0.126543D+01  0.210575D+01 -0.523244D+00  0.181781D+01  0.158311D+01
      6   0.737144D+00 -0.257861D+01 -0.105270D+01 -0.260915D+00 -0.246065D+01
               236           237           238           239           240 
      1  -0.301123D+01  0.192593D+01 -0.169523D+01  0.166385D+01 -0.177490D+01
      2   0.313430D+01 -0.844749D+00  0.117179D+01 -0.445418D+01 -0.260454D+01
      3  -0.123075D+00 -0.108118D+01  0.523438D+00  0.279033D+01  0.437944D+01
      4   0.240400D+01 -0.303304D+01  0.300026D+00  0.178989D-01  0.418827D-01
      5  -0.942608D+00  0.481155D+01 -0.370046D+00 -0.126720D+01  0.109740D+01
      6  -0.133276D+01  0.101532D+01 -0.993485D+00  0.104421D+01  0.874689D+00
               241           242           243           244           245 
      1  -0.906173D+00  0.569987D+01 -0.160881D+02  0.278114D+02 -0.219114D+01
      2  -0.285362D+01 -0.358460D+01 -0.180915D+02 -0.172292D+02  0.497634D+01
      3   0.375980D+01 -0.211527D+01  0.341796D+02 -0.105822D+02 -0.278520D+01
      4  -0.366769D+01  0.487263D+00 -0.308516D+01  0.149964D+02  0.565597D+01
      5   0.433128D+01 -0.856301D+00  0.541910D+01  0.126732D+02  0.132260D+01
      6  -0.309621D+01  0.727844D+01 -0.217795D+02  0.878360D+00  0.333676D+01
               246           247           248           249           250 
      1   0.211512D+01 -0.424378D+00  0.458875D+01  0.114932D+01 -0.121959D+01
      2  -0.311569D+01  0.155725D+01 -0.250511D+01 -0.765414D+00 -0.204777D+01
      3   0.100057D+01 -0.113287D+01 -0.208364D+01 -0.383903D+00  0.326737D+01
      4   0.294537D+01  0.137945D+01  0.186517D+00 -0.147849D+01 -0.301644D+01
      5   0.595013D+01 -0.237790D+01 -0.948351D+00 -0.908330D+00  0.260052D+01
      6   0.302745D+01 -0.399160D+00 -0.222361D+01 -0.106437D+01  0.986773D+00
               251           252           253           254           255 
      1   0.290823D+01  0.297631D+01  0.199039D+01  0.333024D+01  0.407930D+01
      2  -0.418182D+01 -0.484307D+01 -0.456209D+01 -0.357807D+01 -0.144033D+01
      3   0.127359D+01  0.186676D+01  0.257170D+01  0.247832D+00 -0.263896D+01
      4  -0.295590D+01  0.441276D+00 -0.540581D+00 -0.118581D+01  0.117451D+01
      5  -0.108236D+01  0.169151D+01  0.193985D+01 -0.109963D+01  0.347260D+01
      6  -0.179157D+01 -0.488418D+00  0.389624D+00 -0.196752D+01 -0.206888D+01
               256           257           258           259           260 
      1   0.987045D+00 -0.124778D+01  0.404395D+00 -0.273233D+00 -0.421850D+01
      2  -0.559837D+00 -0.169963D+01  0.326585D+01 -0.406826D+01  0.375310D+01
      3  -0.427208D+00  0.294741D+01 -0.367024D+01  0.434149D+01  0.465406D+00
      4  -0.146992D+01 -0.134838D+01 -0.122783D+00  0.314466D+01  0.263425D+01
      5  -0.147387D+01 -0.109692D+01 -0.217576D+01  0.618489D+01  0.131839D+01
      6  -0.141880D+01  0.788041D+00  0.221931D+01  0.360172D+01  0.543256D+01
               261           262           263           264           265 
      1  -0.141667D+02  0.205874D+02  0.821049D+01 -0.179429D+01  0.123394D+02
      2  -0.200617D+02 -0.112658D+02 -0.540470D+01  0.237735D+01 -0.795647D+01
      3   0.342284D+02 -0.932156D+01 -0.280579D+01 -0.583060D+00 -0.438292D+01
      4   0.150044D+01  0.948654D+01  0.963712D+01 -0.217952D+01  0.602101D+01
      5   0.134166D+02 -0.635202D+01 -0.338976D+01  0.439604D+01 -0.850968D+01
      6   0.180413D+02 -0.342089D+01 -0.356463D+01  0.114054D+01 -0.284764D+01
               266           267           268           269           270 
      1   0.724292D+01 -0.257495D+01  0.495041D+01  0.638218D+00  0.601245D+00
      2  -0.393609D+01  0.343597D+01 -0.156476D+01  0.286987D+00 -0.242714D+01
      3  -0.330683D+01 -0.861016D+00 -0.338565D+01 -0.925204D+00  0.182590D+01
      4   0.116364D+02 -0.393586D-01 -0.351600D+01  0.249306D+01  0.363859D+01
      5  -0.218067D+01  0.499655D+01  0.110791D+01  0.315509D+01 -0.113680D+01
      6  -0.474808D+01  0.517845D+00  0.111466D+01 -0.444432D-01 -0.144504D+01
               271           272           273           274           275 
      1  -0.226360D+01  0.700379D+00 -0.331377D+01  0.135354D+01 -0.146019D+01
      2  -0.352517D+00 -0.211427D+00 -0.975792D+00 -0.150851D+01 -0.152576D+01
      3   0.261611D+01 -0.488952D+00  0.428957D+01  0.154970D+00  0.298595D+01
      4   0.463079D+01 -0.600463D+00 -0.106101D+01  0.192260D+01 -0.681918D+00
      5   0.102406D+01 -0.159923D+01  0.948772D+00 -0.154894D+01 -0.241615D+01
      6  -0.606748D+00 -0.536900D+00  0.111974D+01 -0.122154D+01  0.105379D+01
               276           277           278           279           280 
      1  -0.900339D+00 -0.186142D+01  0.168657D+00 -0.148411D+02 -0.437238D+01
      2   0.218037D+01  0.553579D+01  0.207336D+01 -0.192177D+02  0.694478D+01
      3  -0.128003D+01 -0.367437D+01 -0.224202D+01  0.340588D+02 -0.257240D+01
      4  -0.257152D+01  0.192679D+01 -0.420652D+01  0.245361D+01  0.859147D+01
      5   0.121194D+01  0.821490D+01  0.867298D+00 -0.215007D+02 -0.393807D+01
      6   0.476002D+01 -0.139514D+01  0.334973D+01  0.615083D+01 -0.112195D+01
               281           282           283           284           285 
      1  -0.805730D+01  0.298688D+01 -0.644371D+01 -0.153229D+02  0.327159D+01
      2   0.115145D+02 -0.216834D+01  0.836628D+01  0.255311D+02 -0.257983D+01
      3  -0.345725D+01 -0.818543D+00 -0.192257D+01 -0.102082D+02 -0.691763D+00
      4   0.349803D+01  0.960478D+00  0.801885D+01  0.643915D+01 -0.140063D+01
      5  -0.183876D+01 -0.259498D+00 -0.327647D+01 -0.318808D+01  0.522143D+00
      6  -0.816765D+01  0.448886D+01 -0.301139D+01 -0.835108D+01  0.514979D+01
               286           287           288           289           290 
      1  -0.290854D+00 -0.681712D+00 -0.331214D+01 -0.107217D+01 -0.190535D+01
      2   0.762074D+00  0.420062D+01  0.146619D+01 -0.193267D+01  0.170937D+01
      3  -0.471220D+00 -0.351891D+01  0.184595D+01  0.300484D+01  0.195979D+00
      4   0.287897D+01 -0.397419D+01  0.318514D+01 -0.716413D+00  0.781983D+00
      5  -0.593016D+00  0.926158D+00 -0.130528D+01  0.150312D+01 -0.732758D+00
      6   0.299116D+01  0.154823D+01 -0.129648D+01 -0.177593D+01 -0.203970D+01
               291           292           293           294           295 
      1   0.287581D+01  0.242153D-01 -0.183310D+01 -0.361312D+00  0.245895D+01
      2  -0.990844D+00  0.418357D+00 -0.757279D+00 -0.370674D+01 -0.681279D+00
      3  -0.188496D+01 -0.442572D+00  0.259038D+01  0.406805D+01 -0.177767D+01
      4  -0.198528D+01 -0.139339D+01  0.471318D+01 -0.988652D+00 -0.417962D+01
      5   0.435971D+01 -0.356010D-01 -0.875929D+00  0.157662D+01  0.349650D+01
      6   0.167503D+01 -0.200805D+01  0.425102D+00  0.132485D+01  0.246064D+00
               296           297           298           299           300 
      1   0.529842D+01 -0.197846D+02 -0.318664D+01  0.330848D+01  0.113847D+00
      2  -0.135273D+01 -0.142634D+02  0.500387D+01 -0.336667D+01  0.390303D+00
      3  -0.394569D+01  0.340480D+02 -0.181722D+01  0.581956D-01 -0.504150D+00
      4   0.231837D+01  0.181472D+01 -0.168655D+01  0.219348D+00 -0.199792D+01
      5  -0.201944D+01  0.886576D+01 -0.250195D+01 -0.324974D+00 -0.123357D+01
      6   0.809381D+01 -0.205574D+02 -0.101559D+01 -0.419997D+01 -0.184012D+01
               301           302           303           304           305 
      1   0.549484D+01 -0.194230D+02 -0.381306D+01 -0.314720D+01 -0.172232D+01
      2  -0.391512D+01  0.303901D+02  0.288406D+01  0.229374D+01 -0.167027D+01
      3  -0.157972D+01 -0.109671D+02  0.929001D+00  0.853454D+00  0.339259D+01
      4   0.514247D+01  0.960940D+01  0.198726D+01 -0.330905D+01 -0.344168D+01
      5   0.296954D+01 -0.375489D+00  0.211810D+01 -0.166482D+01  0.445147D+00
      6   0.434354D-01  0.124267D+02  0.613264D+01 -0.159075D+01  0.256794D+01
               306           307           308           309           310 
      1  -0.479716D+01 -0.998577D+00  0.293153D+00  0.350096D+01 -0.271495D+01
      2   0.296268D+01 -0.201214D+01  0.644636D-01 -0.169522D+00  0.241459D+01
      3   0.183448D+01  0.301071D+01 -0.357616D+00 -0.333144D+01  0.300355D+00
      4  -0.527709D+00 -0.879948D+00 -0.156720D+01  0.227725D+00 -0.198330D+01
      5  -0.723544D+00  0.134339D+01 -0.103070D+01  0.278358D+01 -0.165211D+01
      6   0.165643D+01 -0.523473D+00 -0.197305D+01 -0.225624D+01 -0.167961D+01
               311           312           313           314           315 
      1  -0.469686D+01 -0.119851D+01  0.356561D+01 -0.437148D+01 -0.203213D+02
      2   0.212130D+01  0.430441D+01 -0.345583D+01  0.441489D-01 -0.138857D+02
      3   0.257556D+01 -0.310590D+01 -0.109783D+00  0.432734D+01  0.342070D+02
      4  -0.184998D+01  0.461349D+00  0.323040D+01  0.297981D+01  0.663742D+00
      5  -0.216751D+00 -0.218542D+01  0.482353D+01  0.338872D+01  0.161442D+02
      6   0.152350D+01  0.291274D+01  0.111849D+01  0.677902D+01  0.155900D+02
               316           317           318           319           320 
      1   0.604757D+01 -0.294433D+01  0.892997D+00 -0.872527D+01  0.630300D+00
      2  -0.736419D-01 -0.982891D+00 -0.738986D+00  0.333787D+01  0.608086D+01
      3  -0.597392D+01  0.392722D+01 -0.154011D+00  0.538740D+01 -0.671116D+01
      4  -0.909326D+01  0.103733D+02  0.196217D+01  0.100463D+02 -0.209661D+02
      5  -0.102885D+01  0.206466D+01  0.167505D+01  0.716250D+01 -0.378492D+01
      6   0.183852D+01 -0.322426D+01 -0.161759D+01 -0.446618D+01  0.895992D+01
               321           322           323           324           325 
      1   0.143020D+01  0.644578D+01 -0.143182D+01 -0.243532D+01 -0.476417D+01
      2  -0.249548D+01 -0.364918D+01 -0.722329D+00  0.583046D+00  0.201290D+01
      3   0.106529D+01 -0.279660D+01  0.215415D+01  0.185227D+01  0.275126D+01
      4  -0.313302D+01  0.924583D+00  0.167066D+01 -0.364804D+01 -0.128411D+01
      5  -0.552857D+01 -0.545856D+00 -0.293891D+01 -0.502910D+00  0.140319D+01
      6   0.328342D+01 -0.872543D+00  0.167618D+01  0.180210D+01 -0.885534D+00
               326           327           328           329           330 
      1   0.662852D+00 -0.255387D+01  0.201589D+01 -0.140239D+01 -0.353071D+00
      2  -0.119231D+01 -0.190774D+01 -0.190471D+01 -0.140499D+01  0.869100D+00
      3   0.529458D+00  0.446160D+01 -0.111177D+00  0.280738D+01 -0.516029D+00
      4   0.664130D+00  0.354401D+00  0.310696D+01 -0.789331D+00 -0.326968D+01
      5  -0.411463D+00  0.679456D+00 -0.669848D+00 -0.286131D+01  0.473321D+00
      6  -0.776988D+00  0.551990D+00 -0.137985D+01  0.994851D+00  0.501993D+01
               331           332           333 
      1  -0.329071D+01 -0.231544D+01 -0.172025D+02
      2   0.587287D+01 -0.113738D+01 -0.169124D+02
      3  -0.258217D+01  0.345282D+01  0.341150D+02
      4  -0.212662D+00 -0.384064D+01 -0.324809D+01
      5   0.775941D+01 -0.265409D+01 -0.222649D+02
      6  -0.418194D+00  0.386654D+01  0.255475D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.191352D-03      0.486369D-03      0.162235D-02
   y          0.138826D-03      0.352861D-03      0.117702D-02
   z          0.850858D-03      0.216267D-02      0.721388D-02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.147873D+03      0.219125D+02      0.243810D+02
   yx        -0.236901D-02     -0.351051D-03     -0.390597D-03
   yy         0.147870D+03      0.219120D+02      0.243804D+02
   zx        -0.100961D-03     -0.149609D-04     -0.166462D-04
   zy        -0.253378D-02     -0.375468D-03     -0.417764D-03
   zz         0.122517D+03      0.181551D+02      0.202003D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.142185D+03      0.210697D+02      0.234432D+02
   aniso      0.258896D+02      0.383645D+01      0.426862D+01
   xx         0.150794D+03      0.223453D+02      0.248625D+02
   yx        -0.444950D-01     -0.659348D-02     -0.733624D-02
   yy         0.150836D+03      0.223516D+02      0.248695D+02
   zx         0.198007D-03      0.293416D-04      0.326470D-04
   zy        -0.117160D-01     -0.173613D-02     -0.193171D-02
   zz         0.124926D+03      0.185121D+02      0.205974D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.09586463         -5.50308848          0.32546661
     6         -0.79171345         -4.98889569         -2.46362738
     7         -1.47225398         -2.26963737         -2.95700418
    45          0.00013473          0.00009100          0.00017656
     7          0.42052229         -3.57325612          1.76689302
     7          1.82412374          1.95513621          2.98545080
     6          4.63501141          1.56408176          2.76805307
     6          5.35516074          1.70635312          0.01176668
     7          3.73937362         -0.13536852         -1.43689464
     7         -0.85445332          3.43191145         -1.88646038
     6         -3.64246209          3.95121761         -1.64562970
     6         -4.46100190          3.26979527          1.00041610
     7         -3.65718806          0.59124841          1.52988273
     1          7.35262507          1.27980299         -0.26190660
     1          5.01470516          3.58689163         -0.75884133
     1          5.64494176          2.97607793          3.87845868
     1          5.07911941         -0.28254537          3.56732240
     1         -4.04420657          5.92811316         -2.06661185
     1         -4.62154706          2.80932632         -3.05403169
     1         -6.49989077          3.46622884          1.22626436
     1         -3.56489235          4.48636463          2.40153000
     1         -1.97912045         -6.24237594         -3.58859664
     1          1.15615112         -5.27297299         -3.07305004
     1         -0.47629337         -7.40878345          0.80626716
     1         -3.06320060         -5.32744340          0.91293807
     1          2.25914378         -4.14875835          1.81670697
     1         -0.13680707         -3.60173339          3.61144617
     1         -3.38958046         -2.13120444         -3.09399889
     1         -0.83348953         -1.78074671         -4.70815721
     1         -4.96471876         -0.60433466          0.77155817
     1         -3.76900490          0.27654896          3.42780692
     1          0.11459015          4.92682632         -1.15136422
     1         -0.38472376          3.43288452         -3.75542533
     1          1.46192031          3.84757382          2.94426095
     1          1.25716700          1.40034455          4.74171999
     1          4.51698612         -1.89162280         -1.27849529
     1          3.86841282          0.27442683         -3.31549055

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.883090D-03      0.224459D-02      0.748715D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.146683D+03      0.217361D+02      0.241847D+02
   yx        -0.865415D+00     -0.128241D+00     -0.142688D+00
   yy         0.147244D+03      0.218193D+02      0.242773D+02
   zx         0.529349D+01      0.784414D+00      0.872778D+00
   zy         0.383730D+01      0.568629D+00      0.632685D+00
   zz         0.124333D+03      0.184242D+02      0.204997D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.142185D+03      0.210697D+02      0.234432D+02
   aniso      0.258896D+02      0.383645D+01      0.426862D+01
   xx         0.149581D+03      0.221656D+02      0.246625D+02
   yx        -0.922355D+00     -0.136679D+00     -0.152076D+00
   yy         0.150201D+03      0.222575D+02      0.247648D+02
   zx         0.539468D+01      0.799409D+00      0.889462D+00
   zy         0.390451D+01      0.578589D+00      0.643767D+00
   zz         0.126774D+03      0.187860D+02      0.209022D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-09\Freq\RM11\Gen\C6H24N6Rh1(3+)\PIERPA\23-Jul-2021\0\
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 uess=Read Geom=Check CPHF=RdFreq Pseudo=Read\\ROA calculations.\\3,1\C
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 BOOKS ARE LIGHTHOUSES ERECTED IN THE GREAT SEA OF TIME.
     -- E.P.WHIPPLE
 Job cpu time:       0 days 17 hours 27 minutes 38.8 seconds.
 Elapsed time:       0 days  1 hours  5 minutes 40.2 seconds.
 File lengths (MBytes):  RWF=    642 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 18:11:35 2021.
